CID 2307602

Anthranilic acid, n,n'-(6-chloropyrimidin-2,4-ylene)di-, hydrochloride

Structural Information

Molecular Formula
C18H13ClN4O4
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=CC(=NC(=N2)NC3=CC=CC=C3C(=O)O)Cl
InChI
InChI=1S/C18H13ClN4O4/c19-14-9-15(20-12-7-3-1-5-10(12)16(24)25)23-18(22-14)21-13-8-4-2-6-11(13)17(26)27/h1-9H,(H,24,25)(H,26,27)(H2,20,21,22,23)
InChIKey
WYLLJNGHMPPCRO-UHFFFAOYSA-N
Compound name
2-[[2-(2-carboxyanilino)-6-chloropyrimidin-4-yl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.06253 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06981 184.1
[M+Na]+ 407.05175 191.2
[M-H]- 383.05525 189.2
[M+NH4]+ 402.09635 191.2
[M+K]+ 423.02569 185.0
[M+H-H2O]+ 367.05979 174.3
[M+HCOO]- 429.06073 199.4
[M+CH3COO]- 443.07638 218.3
[M+Na-2H]- 405.03720 187.7
[M]+ 384.06198 185.0
[M]- 384.06308 185.0
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

No patent data available for this compound.