CID 24946920

Gsk376501a

Structural Information

Molecular Formula
C32H37NO6
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC(=C4)OCCOC)OCCOC)C(=O)O
InChI
InChI=1S/C32H37NO6/c1-32(2,3)24-12-10-23(11-13-24)29-27-8-6-7-9-28(27)33(30(29)31(34)35)21-22-18-25(38-16-14-36-4)20-26(19-22)39-17-15-37-5/h6-13,18-20H,14-17,21H2,1-5H3,(H,34,35)
InChIKey
OIDYMQICWGYEDR-UHFFFAOYSA-N
Compound name
1-[[3,5-bis(2-methoxyethoxy)phenyl]methyl]-3-(4-tert-butylphenyl)indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

531.2621 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.26938 234.5
[M+Na]+ 554.25132 248.1
[M+NH4]+ 549.29592 239.0
[M+K]+ 570.22526 242.4
[M-H]- 530.25482 238.5
[M+Na-2H]- 552.23677 240.4
[M]+ 531.26155 237.7
[M]- 531.26265 237.7
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

patents stripe