CID 3084803

N-(4-(((3-chloropyrazinyl)amino)sulfonyl)phenyl)acetamide

Structural Information

Molecular Formula
C12H11ClN4O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CN=C2Cl
InChI
InChI=1S/C12H11ClN4O3S/c1-8(18)16-9-2-4-10(5-3-9)21(19,20)17-12-11(13)14-6-7-15-12/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKey
OPQHCQPFIZMSPX-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloropyrazin-2-yl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.02405 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.03133 168.7
[M+Na]+ 349.01327 177.6
[M-H]- 325.01677 173.5
[M+NH4]+ 344.05787 180.7
[M+K]+ 364.98721 171.9
[M+H-H2O]+ 309.02131 160.9
[M+HCOO]- 371.02225 182.0
[M+CH3COO]- 385.03790 205.6
[M+Na-2H]- 346.99872 174.3
[M]+ 326.02350 172.5
[M]- 326.02460 172.5
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

patents stripe