CID 2736306

387350-50-7

Structural Information

Molecular Formula
C14H15N3O2
SMILES
CC1=CC(=NC(=N1)N(C)C2=CC=C(C=C2)C(=O)O)C
InChI
InChI=1S/C14H15N3O2/c1-9-8-10(2)16-14(15-9)17(3)12-6-4-11(5-7-12)13(18)19/h4-8H,1-3H3,(H,18,19)
InChIKey
CWDJNWNZJJKIBB-UHFFFAOYSA-N
Compound name
4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

257.11642 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 158.5
[M+Na]+ 280.10564 172.2
[M+NH4]+ 275.15024 165.3
[M+K]+ 296.07958 166.6
[M-H]- 256.10914 161.7
[M+Na-2H]- 278.09109 166.6
[M]+ 257.11587 161.3
[M]- 257.11697 161.3
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

patents stripe