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]+ 355.05138 177.0
[M+Na]+ 377.03332 182.9
[M-H]- 353.03682 184.8
[M+NH4]+ 372.07792 190.6
[M+K]+ 393.00726 178.9
[M+H-H2O]+ 337.04136 169.5
[M+HCOO]- 399.04230 192.8
[M+CH3COO]- 413.05795 211.4
[M+Na-2H]- 375.01877 181.8
[M]+ 354.04355 182.9
[M]- 354.04465 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.