CID 3088074

Carbamic acid, (((3-pyridinylmethyl)amino)sulfonyl)-, 2-chloroethyl ester

Structural Information

Molecular Formula
C9H12ClN3O4S
SMILES
C1=CC=NC(=C1)CNS(=O)(=O)NC(=O)OCCCl
InChI
InChI=1S/C9H12ClN3O4S/c10-4-6-17-9(14)13-18(15,16)12-7-8-3-1-2-5-11-8/h1-3,5,12H,4,6-7H2,(H,13,14)
InChIKey
BGKNXMAEEVFBCU-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(pyridin-2-ylmethylsulfamoyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0237 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.03098 159.2
[M+Na]+ 316.01292 166.0
[M-H]- 292.01642 161.5
[M+NH4]+ 311.05752 173.7
[M+K]+ 331.98686 162.1
[M+H-H2O]+ 276.02096 152.7
[M+HCOO]- 338.02190 173.6
[M+CH3COO]- 352.03755 197.0
[M+Na-2H]- 313.99837 164.8
[M]+ 293.02315 164.3
[M]- 293.02425 164.3
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.