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]+ 357.170976 191.4
[M+Na]+ 379.152918 201.2
[M-H]- 355.156424 195.9
[M+NH4]+ 374.197523 200.1
[M+K]+ 395.126858 191.0
[M+H-H2O]+ 339.160960 174.0
[M+HCOO]- 401.161901 204.0
[M+CH3COO]- 415.177551 198.3
[M+Na-2H]- 377.138366 191.8
[M]+ 356.16315142 181.9
[M]- 356.16424858 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.