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]+ 337.09651 174.4
[M+Na]+ 359.07845 180.7
[M-H]- 335.08195 178.4
[M+NH4]+ 354.12305 184.7
[M+K]+ 375.05239 176.6
[M+H-H2O]+ 319.08649 165.0
[M+HCOO]- 381.08743 191.8
[M+CH3COO]- 395.10308 208.2
[M+Na-2H]- 357.06390 180.4
[M]+ 336.08868 177.6
[M]- 336.08978 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.