CID 9556194

Nsc672051

Structural Information

Molecular Formula
C11H14ClN3O4S
SMILES
CC(C)/C(=N/OC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)/Cl
InChI
InChI=1S/C11H14ClN3O4S/c1-7(2)10(12)15-19-11(16)14-8-3-5-9(6-4-8)20(13,17)18/h3-7H,1-2H3,(H,14,16)(H2,13,17,18)/b15-10-
InChIKey
DKAJMQRQZTWDRM-GDNBJRDFSA-N
Compound name
[(Z)-(1-chloro-2-methylpropylidene)amino] N-(4-sulfamoylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.03937 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.04665 168.1
[M+Na]+ 342.02859 174.1
[M-H]- 318.03209 172.7
[M+NH4]+ 337.07319 182.9
[M+K]+ 358.00253 170.9
[M+H-H2O]+ 302.03663 161.9
[M+HCOO]- 364.03757 182.9
[M+CH3COO]- 378.05322 208.9
[M+Na-2H]- 340.01404 169.7
[M]+ 319.03882 172.0
[M]- 319.03992 172.0
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.