CID 76849181

Bvt-3498

Structural Information

Molecular Formula
C16H18ClN3O4S2
SMILES
CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=NC(=CS2)CCN3CCOCC3=O
InChI
InChI=1S/C16H18ClN3O4S2/c1-11-13(17)3-2-4-14(11)26(22,23)19-16-18-12(10-25-16)5-6-20-7-8-24-9-15(20)21/h2-4,10H,5-9H2,1H3,(H,18,19)
InChIKey
WZFZJEPHYDDFCT-UHFFFAOYSA-N
Compound name
3-chloro-2-methyl-N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

791
Patents

415.04272 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.05000 193.1
[M+Na]+ 438.03194 201.4
[M-H]- 414.03544 201.0
[M+NH4]+ 433.07654 202.8
[M+K]+ 454.00588 195.7
[M+H-H2O]+ 398.03998 186.3
[M+HCOO]- 460.04092 197.7
[M+CH3COO]- 474.05657 217.9
[M+Na-2H]- 436.01739 192.4
[M]+ 415.04217 197.5
[M]- 415.04327 197.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe