CID 11454035

4-[(5-amino-1-methyl-1h-indol-3-yl)methyl]-3-methoxy-n-[(2-methylphenyl)sulfonyl]benzamide

Structural Information

Molecular Formula
C25H25N3O4S
SMILES
CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)N)C)OC
InChI
InChI=1S/C25H25N3O4S/c1-16-6-4-5-7-24(16)33(30,31)27-25(29)18-9-8-17(23(13-18)32-3)12-19-15-28(2)22-11-10-20(26)14-21(19)22/h4-11,13-15H,12,26H2,1-3H3,(H,27,29)
InChIKey
HNBZIIQASMYNPG-UHFFFAOYSA-N
Compound name
4-[(5-amino-1-methylindol-3-yl)methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

463.1566 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.16388 212.9
[M+Na]+ 486.14582 221.7
[M-H]- 462.14932 223.0
[M+NH4]+ 481.19042 222.5
[M+K]+ 502.11976 215.6
[M+H-H2O]+ 446.15386 203.8
[M+HCOO]- 508.15480 230.3
[M+CH3COO]- 522.17045 237.9
[M+Na-2H]- 484.13127 213.5
[M]+ 463.15605 219.3
[M]- 463.15715 219.3
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.