CID 4221124

339336-44-6

Structural Information

Molecular Formula
C21H18N4O
SMILES
C1CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CN=CC=C4)C(=O)C1
InChI
InChI=1S/C21H18N4O/c22-12-16-19(14-6-5-11-24-13-14)20-17(9-4-10-18(20)26)25(21(16)23)15-7-2-1-3-8-15/h1-3,5-8,11,13,19H,4,9-10,23H2
InChIKey
BUVUSHDAEPRTRI-UHFFFAOYSA-N
Compound name
2-amino-5-oxo-1-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.14807 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15535 186.6
[M+Na]+ 365.13729 196.0
[M-H]- 341.14079 190.9
[M+NH4]+ 360.18189 195.5
[M+K]+ 381.11123 185.9
[M+H-H2O]+ 325.14533 169.2
[M+HCOO]- 387.14627 199.6
[M+CH3COO]- 401.16192 193.7
[M+Na-2H]- 363.12274 188.2
[M]+ 342.14752 176.5
[M]- 342.14862 176.5
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.