CID 223200

Nsc10603

Structural Information

Molecular Formula
C10H9ClN4O2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=C(C=N2)Cl
InChI
InChI=1S/C10H9ClN4O2S/c11-7-5-13-10(14-6-7)15-18(16,17)9-3-1-8(12)2-4-9/h1-6H,12H2,(H,13,14,15)
InChIKey
NHXFNWQEWSETRC-UHFFFAOYSA-N
Compound name
4-amino-N-(5-chloropyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.0135 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.02078 158.3
[M+Na]+ 307.00272 168.3
[M-H]- 283.00622 162.7
[M+NH4]+ 302.04732 171.9
[M+K]+ 322.97666 162.0
[M+H-H2O]+ 267.01076 150.8
[M+HCOO]- 329.01170 172.1
[M+CH3COO]- 343.02735 197.5
[M+Na-2H]- 304.98817 164.4
[M]+ 284.01295 160.2
[M]- 284.01405 160.2
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.