CID 722210

99117-21-2

Structural Information

Molecular Formula
C20H18N2O2
SMILES
C1CN(CC2=C(C3=CC=CC=C3N=C21)C(=O)O)CC4=CC=CC=C4
InChI
InChI=1S/C20H18N2O2/c23-20(24)19-15-8-4-5-9-17(15)21-18-10-11-22(13-16(18)19)12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24)
InChIKey
WWVSDQYFRSUJAZ-UHFFFAOYSA-N
Compound name
2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

318.13684 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14412 175.1
[M+Na]+ 341.12606 181.6
[M-H]- 317.12956 178.7
[M+NH4]+ 336.17066 187.3
[M+K]+ 357.10000 175.1
[M+H-H2O]+ 301.13410 164.6
[M+HCOO]- 363.13504 189.1
[M+CH3COO]- 377.15069 184.1
[M+Na-2H]- 339.11151 180.3
[M]+ 318.13629 172.3
[M]- 318.13739 172.3
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.