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 186.8
[M+Na]+ 407.05175 200.4
[M+NH4]+ 402.09635 191.6
[M+K]+ 423.02569 194.7
[M-H]- 383.05525 190.9
[M+Na-2H]- 405.03720 195.2
[M]+ 384.06198 189.9
[M]- 384.06308 189.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.