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

3
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 176.0
[M+Na]+ 341.12606 191.7
[M+NH4]+ 336.17066 184.6
[M+K]+ 357.10000 182.9
[M-H]- 317.12956 180.5
[M+Na-2H]- 339.11151 183.6
[M]+ 318.13629 179.6
[M]- 318.13739 179.6
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

patents stripe