CID 135503467

Nsc636376

Structural Information

Molecular Formula
C17H15N3O2
SMILES
CC1=CC(=O)NC(=N1)CNC(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C17H15N3O2/c1-11-9-16(21)20-15(19-11)10-18-17(22)14-8-4-6-12-5-2-3-7-13(12)14/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKey
MHIUKPRWJLHSHG-UHFFFAOYSA-N
Compound name
N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.11642 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 167.4
[M+Na]+ 316.10564 175.7
[M-H]- 292.10914 171.3
[M+NH4]+ 311.15024 180.0
[M+K]+ 332.07958 169.5
[M+H-H2O]+ 276.11368 157.9
[M+HCOO]- 338.11462 187.1
[M+CH3COO]- 352.13027 177.9
[M+Na-2H]- 314.09109 173.9
[M]+ 293.11587 166.6
[M]- 293.11697 166.6
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.