CID 463619

Gw8635

Structural Information

Molecular Formula
C24H21N3O5S
SMILES
CC1=CC(=CC(=C1)C(=O)C2=CC=CC=C2OCC(=O)NC3=C(C=C(C=C3)S(=O)(=O)N)C)C#N
InChI
InChI=1S/C24H21N3O5S/c1-15-9-17(13-25)12-18(10-15)24(29)20-5-3-4-6-22(20)32-14-23(28)27-21-8-7-19(11-16(21)2)33(26,30)31/h3-12H,14H2,1-2H3,(H,27,28)(H2,26,30,31)
InChIKey
JNFIUKICFZNJBX-UHFFFAOYSA-N
Compound name
2-[2-(3-cyano-5-methylbenzoyl)phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.12018 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.12746 225.3
[M+Na]+ 486.10940 233.2
[M-H]- 462.11290 232.5
[M+NH4]+ 481.15400 231.4
[M+K]+ 502.08334 227.3
[M+H-H2O]+ 446.11744 209.2
[M+HCOO]- 508.11838 237.7
[M+CH3COO]- 522.13403 243.8
[M+Na-2H]- 484.09485 222.6
[M]+ 463.11963 222.9
[M]- 463.12073 222.9
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.