PubChemLite - (7-(2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl)-9,10-dihydrophenanthren-2-yl) 2-methylprop-2-enoate (C29H26O5)

Structural Information

Molecular Formula

SMILES

CC(=C)C(=O)OC1=CC2=C(C=C1)C3=C(CC2)C=C(C=C3)C4=C(C=C(C=C4)OC(=O)C(=C)C)OC

InChI

InChI=1S/C29H26O5/c1-17(2)28(30)33-22-9-12-25-21(15-22)7-6-19-14-20(8-11-24(19)25)26-13-10-23(16-27(26)32-5)34-29(31)18(3)4/h8-16H,1,3,6-7H2,2,4-5H3

InChIKey

KEIDUGIPYLMHNO-UHFFFAOYSA-N

Compound name

[7-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]-9,10-dihydrophenanthren-2-yl] 2-methylprop-2-enoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	455.18528	209.9
[M+Na]+	477.16722	214.7
[M-H]-	453.17072	217.2
[M+NH4]+	472.21182	219.6
[M+K]+	493.14116	210.5
[M+H-H2O]+	437.17526	199.9
[M+HCOO]-	499.17620	224.1
[M+CH3COO]-	513.19185	238.1
[M+Na-2H]-	475.15267	207.3
[M]+	454.17745	213.2
[M]-	454.17855	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.18528

209.9

[M+Na]+

477.16722

214.7

[M-H]-

453.17072

217.2

[M+NH4]+

472.21182

219.6

[M+K]+

493.14116

210.5

[M+H-H2O]+

437.17526

199.9

[M+HCOO]-

499.17620

224.1

[M+CH3COO]-

513.19185

238.1

[M+Na-2H]-

475.15267

207.3

[M]+

454.17745

213.2

[M]-

454.17855

213.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(7-(2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl)-9,10-dihydrophenanthren-2-yl) 2-methylprop-2-enoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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