CID 2757360

677326-89-5

Structural Information

Molecular Formula
C14H12ClN3O4S
SMILES
C1=CC(=CC=C1C(=O)N)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C14H12ClN3O4S/c15-23(21,22)12-7-5-11(6-8-12)18-14(20)17-10-3-1-9(2-4-10)13(16)19/h1-8H,(H2,16,19)(H2,17,18,20)
InChIKey
GYKXKOROZFUMIC-UHFFFAOYSA-N
Compound name
4-[(4-carbamoylphenyl)carbamoylamino]benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

353.0237 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.03098 175.7
[M+Na]+ 376.01292 182.4
[M-H]- 352.01642 182.2
[M+NH4]+ 371.05752 188.3
[M+K]+ 391.98686 177.1
[M+H-H2O]+ 336.02096 168.8
[M+HCOO]- 398.02190 190.6
[M+CH3COO]- 412.03755 212.6
[M+Na-2H]- 373.99837 178.9
[M]+ 353.02315 177.8
[M]- 353.02425 177.8
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

patents stripe