CID 5275442

Chembl361202

Structural Information

Molecular Formula
C24H26N2O5S
SMILES
CS(=O)(=O)NC(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC=CC=C3)C4CCCCC4
InChI
InChI=1S/C24H26N2O5S/c1-32(30,31)25-21(27)15-26-20-14-18(24(28)29)12-13-19(20)22(16-8-4-2-5-9-16)23(26)17-10-6-3-7-11-17/h3,6-7,10-14,16H,2,4-5,8-9,15H2,1H3,(H,25,27)(H,28,29)
InChIKey
KSWXNZWMEVSGQP-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

454.15625 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.16353 206.2
[M+Na]+ 477.14547 211.0
[M-H]- 453.14897 213.8
[M+NH4]+ 472.19007 215.2
[M+K]+ 493.11941 205.8
[M+H-H2O]+ 437.15351 198.1
[M+HCOO]- 499.15445 217.5
[M+CH3COO]- 513.17010 229.1
[M+Na-2H]- 475.13092 205.4
[M]+ 454.15570 207.5
[M]- 454.15680 207.5
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.