CID 4145512

361193-45-5

Structural Information

Molecular Formula
C23H23N3O2
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=CC=CC=C4)C(=O)CCC3)C
InChI
InChI=1S/C23H23N3O2/c1-14-8-6-13-19(24-14)26-23(28)20-15(2)25-17-11-7-12-18(27)22(17)21(20)16-9-4-3-5-10-16/h3-6,8-10,13,21,25H,7,11-12H2,1-2H3,(H,24,26,28)
InChIKey
WXFWYEUEBIQUDN-UHFFFAOYSA-N
Compound name
2-methyl-N-(6-methylpyridin-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.17902 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18630 192.1
[M+Na]+ 396.16824 197.6
[M-H]- 372.17174 198.0
[M+NH4]+ 391.21284 200.8
[M+K]+ 412.14218 190.3
[M+H-H2O]+ 356.17628 180.8
[M+HCOO]- 418.17722 206.4
[M+CH3COO]- 432.19287 199.8
[M+Na-2H]- 394.15369 193.3
[M]+ 373.17847 187.1
[M]- 373.17957 187.1
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.