CID 472415

2-chlorobenzylidene-sulfadiazine

Structural Information

Molecular Formula
C17H13ClN4O2S
SMILES
C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Cl
InChI
InChI=1S/C17H13ClN4O2S/c18-16-5-2-1-4-13(16)12-21-14-6-8-15(9-7-14)25(23,24)22-17-19-10-3-11-20-17/h1-12H,(H,19,20,22)
InChIKey
HYMSJTLDYMHLAV-UHFFFAOYSA-N
Compound name
4-[(2-chlorophenyl)methylideneamino]-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.04477 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.05205 183.7
[M+Na]+ 395.03399 192.9
[M-H]- 371.03749 192.3
[M+NH4]+ 390.07859 194.1
[M+K]+ 411.00793 185.3
[M+H-H2O]+ 355.04203 173.7
[M+HCOO]- 417.04297 198.9
[M+CH3COO]- 431.05862 194.0
[M+Na-2H]- 393.01944 190.6
[M]+ 372.04422 187.6
[M]- 372.04532 187.6
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.