CID 2894080

362486-99-5

Structural Information

Molecular Formula
C22H22N4O2
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=CN=CC=C4)C(=O)CCC3)C
InChI
InChI=1S/C22H22N4O2/c1-13-6-3-10-18(24-13)26-22(28)19-14(2)25-16-8-4-9-17(27)21(16)20(19)15-7-5-11-23-12-15/h3,5-7,10-12,20,25H,4,8-9H2,1-2H3,(H,24,26,28)
InChIKey
KHYKXQOONSTNTD-UHFFFAOYSA-N
Compound name
2-methyl-N-(6-methylpyridin-2-yl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

374.1743 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18158 192.9
[M+Na]+ 397.16352 198.8
[M-H]- 373.16702 197.5
[M+NH4]+ 392.20812 200.1
[M+K]+ 413.13746 191.3
[M+H-H2O]+ 357.17156 180.9
[M+HCOO]- 419.17250 206.1
[M+CH3COO]- 433.18815 200.1
[M+Na-2H]- 395.14897 194.7
[M]+ 374.17375 188.1
[M]- 374.17485 188.1
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