CID 5345098

82756-19-2

Structural Information

Molecular Formula
C15H14N2O
SMILES
CC1=CC2=C(C=C1)NC3=C(C2=O)C(=CC(=N3)C)C
InChI
InChI=1S/C15H14N2O/c1-8-4-5-12-11(6-8)14(18)13-9(2)7-10(3)16-15(13)17-12/h4-7H,1-3H3,(H,16,17,18)
InChIKey
NHPAURBKWZQCDB-UHFFFAOYSA-N
Compound name
2,4,7-trimethyl-10H-benzo[b][1,8]naphthyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11061 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.117886 153.4
[M+Na]+ 261.099828 166.5
[M-H]- 237.103334 156.3
[M+NH4]+ 256.144433 170.9
[M+K]+ 277.073768 160.1
[M+H-H2O]+ 221.107870 145.7
[M+HCOO]- 283.108811 173.1
[M+CH3COO]- 297.124461 166.4
[M+Na-2H]- 259.085276 161.5
[M]+ 238.11006142 156.2
[M]- 238.11115858 156.2
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.