CID 72003

Ipsalazide

Structural Information

Molecular Formula
C16H13N3O6
SMILES
C1=CC(=CC=C1C(=O)NCC(=O)O)N=NC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C16H13N3O6/c20-13-6-5-11(7-12(13)16(24)25)19-18-10-3-1-9(2-4-10)15(23)17-8-14(21)22/h1-7,20H,8H2,(H,17,23)(H,21,22)(H,24,25)
InChIKey
CQSRTOJJBONKMC-UHFFFAOYSA-N
Compound name
5-[[4-(carboxymethylcarbamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

217
Patents

343.08044 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.08772 174.0
[M+Na]+ 366.06966 178.8
[M-H]- 342.07316 179.7
[M+NH4]+ 361.11426 184.9
[M+K]+ 382.04360 177.3
[M+H-H2O]+ 326.07770 165.0
[M+HCOO]- 388.07864 198.1
[M+CH3COO]- 402.09429 216.3
[M+Na-2H]- 364.05511 176.5
[M]+ 343.07989 174.6
[M]- 343.08099 174.6
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.