CID 5790897

Nsc682830

Structural Information

Molecular Formula
C10H12ClN3O4S
SMILES
CC1=C(C=CC(=C1)NC(=O)O/N=C(/C)\Cl)S(=O)(=O)N
InChI
InChI=1S/C10H12ClN3O4S/c1-6-5-8(3-4-9(6)19(12,16)17)13-10(15)18-14-7(2)11/h3-5H,1-2H3,(H,13,15)(H2,12,16,17)/b14-7-
InChIKey
YUAZCMKFKLZBJO-AUWJEWJLSA-N
Compound name
[(Z)-1-chloroethylideneamino] N-(3-methyl-4-sulfamoylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0237 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.03098 163.9
[M+Na]+ 328.01292 171.4
[M-H]- 304.01642 168.9
[M+NH4]+ 323.05752 179.7
[M+K]+ 343.98686 168.0
[M+H-H2O]+ 288.02096 158.0
[M+HCOO]- 350.02190 180.0
[M+CH3COO]- 364.03755 206.3
[M+Na-2H]- 325.99837 166.3
[M]+ 305.02315 168.4
[M]- 305.02425 168.4
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.