CID 6481017

Akos000211605

Structural Information

Molecular Formula
C14H15N3O2
SMILES
CC1=CC(=C(C=C1)C(=O)NC2=NC(=CC(=N2)C)C)O
InChI
InChI=1S/C14H15N3O2/c1-8-4-5-11(12(18)6-8)13(19)17-14-15-9(2)7-10(3)16-14/h4-7,18H,1-3H3,(H,15,16,17,19)
InChIKey
TVYXRVMITITGPO-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.11642 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 159.6
[M+Na]+ 280.10564 168.6
[M-H]- 256.10914 163.3
[M+NH4]+ 275.15024 173.3
[M+K]+ 296.07958 164.4
[M+H-H2O]+ 240.11368 151.0
[M+HCOO]- 302.11462 180.4
[M+CH3COO]- 316.13027 198.1
[M+Na-2H]- 278.09109 163.6
[M]+ 257.11587 160.2
[M]- 257.11697 160.2
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.