CID 3088076

2-chloroethyl ((diphenylamino)sulfonyl)carbamate

Structural Information

Molecular Formula
C15H15ClN2O4S
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)S(=O)(=O)NC(=O)OCCCl
InChI
InChI=1S/C15H15ClN2O4S/c16-11-12-22-15(19)17-23(20,21)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)
InChIKey
ZSXZSNWLAREGOP-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(diphenylsulfamoyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.0441 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.051376 177.0
[M+Na]+ 377.033318 182.9
[M-H]- 353.036824 184.8
[M+NH4]+ 372.077923 190.6
[M+K]+ 393.007258 178.9
[M+H-H2O]+ 337.041360 169.5
[M+HCOO]- 399.042301 192.8
[M+CH3COO]- 413.057951 211.4
[M+Na-2H]- 375.018766 181.8
[M]+ 354.04355142 182.9
[M]- 354.04464858 182.9
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.