CID 377775

Nsc659379

Structural Information

Molecular Formula
C22H21N5O4S2
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)CC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C22H21N5O4S2/c1-14-15(2)26-31-21(14)27-33(29,30)19-10-8-17(9-11-19)24-22-25-18(13-32-22)12-20(28)23-16-6-4-3-5-7-16/h3-11,13,27H,12H2,1-2H3,(H,23,28)(H,24,25)
InChIKey
UXEIVHCICNZXKU-UHFFFAOYSA-N
Compound name
2-[2-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]-1,3-thiazol-4-yl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.1035 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.11078 211.9
[M+Na]+ 506.09272 220.4
[M-H]- 482.09622 224.4
[M+NH4]+ 501.13732 219.0
[M+K]+ 522.06666 214.8
[M+H-H2O]+ 466.10076 204.0
[M+HCOO]- 528.10170 227.7
[M+CH3COO]- 542.11735 220.8
[M+Na-2H]- 504.07817 213.7
[M]+ 483.10295 218.3
[M]- 483.10405 218.3
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.