PubChemLite - Gangetinin (C26H26O5)

Structural Information

Molecular Formula

SMILES

CC1(C=CC2=C(O1)C=CC3=C2OC4C3COC5=C4C(=C6C=CC(OC6=C5)(C)C)OC)C

InChI

InChI=1S/C26H26O5/c1-25(2)10-8-15-18(30-25)7-6-14-17-13-28-20-12-19-16(9-11-26(3,4)31-19)23(27-5)21(20)24(17)29-22(14)15/h6-12,17,24H,13H2,1-5H3

InChIKey

GYTBWEWXRFODTH-UHFFFAOYSA-N

Compound name

3-methoxy-7,7,20,20-tetramethyl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15(24),16,18(23),21-octaene

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]+	419.18528	199.2
[M+Na]+	441.16722	210.0
[M-H]-	417.17072	209.7
[M+NH4]+	436.21182	214.9
[M+K]+	457.14116	209.3
[M+H-H2O]+	401.17526	189.8
[M+HCOO]-	463.17620	207.6
[M+CH3COO]-	477.19185	209.5
[M+Na-2H]-	439.15267	204.0
[M]+	418.17745	205.6
[M]-	418.17855	205.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.18528

199.2

[M+Na]+

441.16722

210.0

[M-H]-

417.17072

209.7

[M+NH4]+

436.21182

214.9

[M+K]+

457.14116

209.3

[M+H-H2O]+

401.17526

189.8

[M+HCOO]-

463.17620

207.6

[M+CH3COO]-

477.19185

209.5

[M+Na-2H]-

439.15267

204.0

[M]+

418.17745

205.6

[M]-

418.17855

205.6

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

Gangetinin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe