PubChemLite - Spirodihydrobenzofuranlactam i (C23H31NO4)

Structural Information

Molecular Formula

SMILES

CC1CCC2C(C(CCC2(C13CC4=C(O3)C=C5C(=C4O)CNC5=O)C)O)(C)C

InChI

InChI=1S/C23H31NO4/c1-12-5-6-17-21(2,3)18(25)7-8-22(17,4)23(12)10-14-16(28-23)9-13-15(19(14)26)11-24-20(13)27/h9,12,17-18,25-26H,5-8,10-11H2,1-4H3,(H,24,27)

InChIKey

TYBIMLPPWZKUEC-UHFFFAOYSA-N

Compound name

3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-5,6-dihydro-3H-furo[3,2-f]isoindole]-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]+	386.23258	194.0
[M+Na]+	408.21452	202.6
[M-H]-	384.21802	197.6
[M+NH4]+	403.25912	214.4
[M+K]+	424.18846	196.2
[M+H-H2O]+	368.22256	188.7
[M+HCOO]-	430.22350	199.5
[M+CH3COO]-	444.23915	202.3
[M+Na-2H]-	406.19997	192.5
[M]+	385.22475	189.8
[M]-	385.22585	189.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

386.23258

194.0

[M+Na]+

408.21452

202.6

[M-H]-

384.21802

197.6

[M+NH4]+

403.25912

214.4

[M+K]+

424.18846

196.2

[M+H-H2O]+

368.22256

188.7

[M+HCOO]-

430.22350

199.5

[M+CH3COO]-

444.23915

202.3

[M+Na-2H]-

406.19997

192.5

[M]+

385.22475

189.8

[M]-

385.22585

189.8

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

Spirodihydrobenzofuranlactam i

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe