PubChemLite - Spirodihydrobenzofuranlactam ii (C25H35NO5)

Structural Information

Molecular Formula

SMILES

CC1CCC2C(C(CCC2(C13CC4=C(O3)C=C5C(=C4O)CN(C5=O)CCO)C)O)(C)C

InChI

InChI=1S/C25H35NO5/c1-14-5-6-19-23(2,3)20(28)7-8-24(19,4)25(14)12-16-18(31-25)11-15-17(21(16)29)13-26(9-10-27)22(15)30/h11,14,19-20,27-29H,5-10,12-13H2,1-4H3

InChIKey

LFDSCKHKJMUBAW-UHFFFAOYSA-N

Compound name

3,4'-dihydroxy-6'-(2-hydroxyethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,5-dihydrofuro[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]+	430.25881	204.3
[M+Na]+	452.24075	212.4
[M-H]-	428.24425	207.7
[M+NH4]+	447.28535	223.1
[M+K]+	468.21469	206.7
[M+H-H2O]+	412.24879	199.2
[M+HCOO]-	474.24973	209.1
[M+CH3COO]-	488.26538	211.9
[M+Na-2H]-	450.22620	201.9
[M]+	429.25098	202.7
[M]-	429.25208	202.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

430.25881

204.3

[M+Na]+

452.24075

212.4

[M-H]-

428.24425

207.7

[M+NH4]+

447.28535

223.1

[M+K]+

468.21469

206.7

[M+H-H2O]+

412.24879

199.2

[M+HCOO]-

474.24973

209.1

[M+CH3COO]-

488.26538

211.9

[M+Na-2H]-

450.22620

201.9

[M]+

429.25098

202.7

[M]-

429.25208

202.7

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

Spirodihydrobenzofuranlactam ii

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe