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]+ 294.123696 167.4
[M+Na]+ 316.105638 175.7
[M-H]- 292.109144 171.3
[M+NH4]+ 311.150243 180.0
[M+K]+ 332.079578 169.5
[M+H-H2O]+ 276.113680 157.9
[M+HCOO]- 338.114621 187.1
[M+CH3COO]- 352.130271 177.9
[M+Na-2H]- 314.091086 173.9
[M]+ 293.11587142 166.6
[M]- 293.11696858 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.