CID 3051583

P-mercapto sulfadiazine

Structural Information

Molecular Formula
C10H9N3O2S2
SMILES
C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)S
InChI
InChI=1S/C10H9N3O2S2/c14-17(15,9-4-2-8(16)3-5-9)13-10-11-6-1-7-12-10/h1-7,16H,(H,11,12,13)
InChIKey
NMEYGBJUBWCFRP-UHFFFAOYSA-N
Compound name
N-pyrimidin-2-yl-4-sulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.0136 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.02088 154.8
[M+Na]+ 290.00282 164.5
[M-H]- 266.00632 159.0
[M+NH4]+ 285.04742 168.8
[M+K]+ 305.97676 158.3
[M+H-H2O]+ 250.01086 147.1
[M+HCOO]- 312.01180 167.5
[M+CH3COO]- 326.02745 192.7
[M+Na-2H]- 287.98827 160.4
[M]+ 267.01305 156.7
[M]- 267.01415 156.7
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

No patent data available for this compound.