CID 1560709

[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-carbamic acid propyl ester

Structural Information

Molecular Formula
C14H16N4O4S
SMILES
CCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2
InChI
InChI=1S/C14H16N4O4S/c1-2-10-22-14(19)17-11-4-6-12(7-5-11)23(20,21)18-13-15-8-3-9-16-13/h3-9H,2,10H2,1H3,(H,17,19)(H,15,16,18)
InChIKey
OYJXUAABDVJXMF-UHFFFAOYSA-N
Compound name
propyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

336.08923 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.096506 174.4
[M+Na]+ 359.078448 180.7
[M-H]- 335.081954 178.4
[M+NH4]+ 354.123053 184.7
[M+K]+ 375.052388 176.6
[M+H-H2O]+ 319.086490 165.0
[M+HCOO]- 381.087431 191.8
[M+CH3COO]- 395.103081 208.2
[M+Na-2H]- 357.063896 180.4
[M]+ 336.08868142 177.6
[M]- 336.08977858 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.