CID 71111

Salazosulfadimidine

Structural Information

Molecular Formula
C19H17N5O5S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O)C
InChI
InChI=1S/C19H17N5O5S/c1-11-9-12(2)21-19(20-11)24-30(28,29)15-6-3-13(4-7-15)22-23-14-5-8-17(25)16(10-14)18(26)27/h3-10,25H,1-2H3,(H,26,27)(H,20,21,24)
InChIKey
DFPJEJKMDZFZHC-UHFFFAOYSA-N
Compound name
5-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1794
Patents

427.09503 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.102306 198.1
[M+Na]+ 450.084248 205.5
[M-H]- 426.087754 206.1
[M+NH4]+ 445.128853 204.3
[M+K]+ 466.058188 200.5
[M+H-H2O]+ 410.092290 187.3
[M+HCOO]- 472.093231 216.1
[M+CH3COO]- 486.108881 232.1
[M+Na-2H]- 448.069696 202.8
[M]+ 427.09448142 202.0
[M]- 427.09557858 202.0
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