CID 388192

Nsc682760

Structural Information

Molecular Formula
C34H37NO10
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)C2CC3(CCC2(C4=CC(=C(C(=C4)OC)OC)OC)O)CC(=O)NC5=CC=CC=C5C3=O
InChI
InChI=1S/C34H37NO10/c1-40-24-13-19(14-25(41-2)30(24)44-5)29(37)22-17-33(18-28(36)35-23-10-8-7-9-21(23)32(33)38)11-12-34(22,39)20-15-26(42-3)31(45-6)27(16-20)43-4/h7-10,13-16,22,39H,11-12,17-18H2,1-6H3,(H,35,36)
InChIKey
ZLDVRLQYZOGQBP-UHFFFAOYSA-N
Compound name
1'-hydroxy-2'-(3,4,5-trimethoxybenzoyl)-1'-(3,4,5-trimethoxyphenyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

619.24176 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.24904 247.0
[M+Na]+ 642.23098 250.8
[M-H]- 618.23448 255.9
[M+NH4]+ 637.27558 250.3
[M+K]+ 658.20492 255.2
[M+H-H2O]+ 602.23902 235.7
[M+HCOO]- 664.23996 255.2
[M+CH3COO]- 678.25561 260.6
[M+Na-2H]- 640.21643 243.7
[M]+ 619.24121 249.5
[M]- 619.24231 249.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.