CID 5169043

361194-07-2

Structural Information

Molecular Formula
C23H23N3O3
SMILES
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3OC)C(=O)NC4=CC=CC=N4
InChI
InChI=1S/C23H23N3O3/c1-14-20(23(28)26-19-12-5-6-13-24-19)21(15-8-3-4-11-18(15)29-2)22-16(25-14)9-7-10-17(22)27/h3-6,8,11-13,21,25H,7,9-10H2,1-2H3,(H,24,26,28)
InChIKey
XWBZBPVGRFVHIE-UHFFFAOYSA-N
Compound name
4-(2-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

389.17395 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18123 194.8
[M+Na]+ 412.16317 200.0
[M-H]- 388.16667 200.6
[M+NH4]+ 407.20777 202.7
[M+K]+ 428.13711 193.5
[M+H-H2O]+ 372.17121 183.2
[M+HCOO]- 434.17215 209.2
[M+CH3COO]- 448.18780 202.3
[M+Na-2H]- 410.14862 196.2
[M]+ 389.17340 191.2
[M]- 389.17450 191.2
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.