PubChemLite - Chembl5200407 (C24H30O4)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C2C(=CC3=C1O[C@@H](C3)C(C)(C)O)C=C(C(=O)O2)C(C)(C)C=C)C

InChI

InChI=1S/C24H30O4/c1-8-23(4,5)18-12-15-11-16-13-19(24(6,7)26)27-20(16)17(10-9-14(2)3)21(15)28-22(18)25/h8-9,11-12,19,26H,1,10,13H2,2-7H3/t19-/m0/s1

InChIKey

GANKRGDTCKPDCH-IBGZPJMESA-N

Compound name

(2S)-2-(2-hydroxypropan-2-yl)-6-(2-methylbut-3-en-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-7-one

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]+	383.22170	195.1
[M+Na]+	405.20364	202.8
[M-H]-	381.20714	200.5
[M+NH4]+	400.24824	208.3
[M+K]+	421.17758	199.9
[M+H-H2O]+	365.21168	190.4
[M+HCOO]-	427.21262	207.1
[M+CH3COO]-	441.22827	222.8
[M+Na-2H]-	403.18909	197.1
[M]+	382.21387	200.4
[M]-	382.21497	200.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

383.22170

195.1

[M+Na]+

405.20364

202.8

[M-H]-

381.20714

200.5

[M+NH4]+

400.24824

208.3

[M+K]+

421.17758

199.9

[M+H-H2O]+

365.21168

190.4

[M+HCOO]-

427.21262

207.1

[M+CH3COO]-

441.22827

222.8

[M+Na-2H]-

403.18909

197.1

[M]+

382.21387

200.4

[M]-

382.21497

200.4

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

Chembl5200407

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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