CID 54682194

3-benzyl-7-methyl[1,8]naphthyridine-2,4-diol

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC1=NC2=C(C=C1)C(=C(C(=O)N2)CC3=CC=CC=C3)O
InChI
InChI=1S/C16H14N2O2/c1-10-7-8-12-14(19)13(16(20)18-15(12)17-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,17,18,19,20)
InChIKey
RXXLBGZVPSRUFZ-UHFFFAOYSA-N
Compound name
3-benzyl-4-hydroxy-7-methyl-1H-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

266.10553 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.112806 161.0
[M+Na]+ 289.094748 171.2
[M-H]- 265.098254 164.0
[M+NH4]+ 284.139353 174.8
[M+K]+ 305.068688 164.4
[M+H-H2O]+ 249.102790 152.3
[M+HCOO]- 311.103731 179.2
[M+CH3COO]- 325.119381 172.2
[M+Na-2H]- 287.080196 167.3
[M]+ 266.10498142 160.5
[M]- 266.10607858 160.5
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.