PubChemLite - Nsc687100 (C24H28O6)

Structural Information

Molecular Formula

SMILES

CC1(CCC2=C3C(=C(C=C2O1)OC)C4C(C5=CC(=C(C=C5O4)OC)O)C(O3)(C)C)C

InChI

InChI=1S/C24H28O6/c1-23(2)8-7-12-16(29-23)11-18(27-6)19-21(12)30-24(3,4)20-13-9-14(25)17(26-5)10-15(13)28-22(19)20/h9-11,20,22,25H,7-8H2,1-6H3

InChIKey

WBINUGLVADUVRH-UHFFFAOYSA-N

Compound name

6,21-dimethoxy-11,11,17,17-tetramethyl-3,12,18-trioxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(21),4,6,8,13,19-hexaen-7-ol

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]+	413.19588	197.2
[M+Na]+	435.17782	207.7
[M-H]-	411.18132	205.4
[M+NH4]+	430.22242	213.6
[M+K]+	451.15176	207.0
[M+H-H2O]+	395.18586	190.2
[M+HCOO]-	457.18680	206.4
[M+CH3COO]-	471.20245	207.6
[M+Na-2H]-	433.16327	201.0
[M]+	412.18805	204.6
[M]-	412.18915	204.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

413.19588

197.2

[M+Na]+

435.17782

207.7

[M-H]-

411.18132

205.4

[M+NH4]+

430.22242

213.6

[M+K]+

451.15176

207.0

[M+H-H2O]+

395.18586

190.2

[M+HCOO]-

457.18680

206.4

[M+CH3COO]-

471.20245

207.6

[M+Na-2H]-

433.16327

201.0

[M]+

412.18805

204.6

[M]-

412.18915

204.6

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

Nsc687100

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe