CID 710761

Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate

Structural Information

Molecular Formula
C13H14N4O4S
SMILES
CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2
InChI
InChI=1S/C13H14N4O4S/c1-2-21-13(18)16-10-4-6-11(7-5-10)22(19,20)17-12-14-8-3-9-15-12/h3-9H,2H2,1H3,(H,16,18)(H,14,15,17)
InChIKey
KCGRRSBXPMGGCE-UHFFFAOYSA-N
Compound name
ethyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

322.07358 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08086 170.2
[M+Na]+ 345.06280 177.0
[M-H]- 321.06630 174.4
[M+NH4]+ 340.10740 181.1
[M+K]+ 361.03674 173.1
[M+H-H2O]+ 305.07084 161.0
[M+HCOO]- 367.07178 188.0
[M+CH3COO]- 381.08743 205.3
[M+Na-2H]- 343.04825 176.6
[M]+ 322.07303 173.1
[M]- 322.07413 173.1
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

patents stripe