CID 3236409

311320-47-5

Structural Information

Molecular Formula
C22H20N4O
SMILES
CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CN=CC=C4)C(=O)CCC3
InChI
InChI=1S/C22H20N4O/c1-14-7-9-16(10-8-14)26-18-5-2-6-19(27)21(18)20(17(12-23)22(26)24)15-4-3-11-25-13-15/h3-4,7-11,13,20H,2,5-6,24H2,1H3
InChIKey
WNKGBHXZXXNZNN-UHFFFAOYSA-N
Compound name
2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

356.1637 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17098 191.4
[M+Na]+ 379.15292 201.2
[M-H]- 355.15642 195.9
[M+NH4]+ 374.19752 200.1
[M+K]+ 395.12686 191.0
[M+H-H2O]+ 339.16096 174.0
[M+HCOO]- 401.16190 204.0
[M+CH3COO]- 415.17755 198.3
[M+Na-2H]- 377.13837 191.8
[M]+ 356.16315 181.9
[M]- 356.16425 181.9
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.