CID 1931869

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

Structural Information

Molecular Formula
C19H16N4O4
SMILES
CC1=CC(=NC(=N1)NC2=CC=CC=C2C(=O)O)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C19H16N4O4/c1-11-10-16(21-14-8-4-2-6-12(14)17(24)25)23-19(20-11)22-15-9-5-3-7-13(15)18(26)27/h2-10H,1H3,(H,24,25)(H,26,27)(H2,20,21,22,23)
InChIKey
IEOOGHVXFIFRSY-UHFFFAOYSA-N
Compound name
2-[[2-(2-carboxyanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.11716 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.124436 183.7
[M+Na]+ 387.106378 189.6
[M-H]- 363.109884 188.8
[M+NH4]+ 382.150983 190.6
[M+K]+ 403.080318 184.6
[M+H-H2O]+ 347.114420 172.9
[M+HCOO]- 409.115361 203.0
[M+CH3COO]- 423.131011 217.8
[M+Na-2H]- 385.091826 187.1
[M]+ 364.11661142 182.4
[M]- 364.11770858 182.4
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.