CID 68427

Metachloridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

13
References

2
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

patents stripe