CID 3260720

187398-67-0

Structural Information

Molecular Formula
C22H19N3O
SMILES
C1CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC=CC=C4)C(=O)C1
InChI
InChI=1S/C22H19N3O/c23-14-17-20(15-8-3-1-4-9-15)21-18(12-7-13-19(21)26)25(22(17)24)16-10-5-2-6-11-16/h1-6,8-11,20H,7,12-13,24H2
InChIKey
GMOZPIWJNXJPFA-UHFFFAOYSA-N
Compound name
2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

341.1528 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16008 188.2
[M+Na]+ 364.14202 197.7
[M-H]- 340.14552 193.9
[M+NH4]+ 359.18662 198.6
[M+K]+ 380.11596 187.2
[M+H-H2O]+ 324.15006 171.7
[M+HCOO]- 386.15100 202.3
[M+CH3COO]- 400.16665 195.7
[M+Na-2H]- 362.12747 189.2
[M]+ 341.15225 178.1
[M]- 341.15335 178.1
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

No patent data available for this compound.