CID 3428723

2-amino-1-(4-methoxyphenyl)-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C23H21N3O2
SMILES
COC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=CC=C4)C(=O)CCC3
InChI
InChI=1S/C23H21N3O2/c1-28-17-12-10-16(11-13-17)26-19-8-5-9-20(27)22(19)21(18(14-24)23(26)25)15-6-3-2-4-7-15/h2-4,6-7,10-13,21H,5,8-9,25H2,1H3
InChIKey
IUEWFZZWWCIBGN-UHFFFAOYSA-N
Compound name
2-amino-1-(4-methoxyphenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1634 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17068 195.4
[M+Na]+ 394.15262 209.6
[M+NH4]+ 389.19722 199.8
[M+K]+ 410.12656 197.5
[M-H]- 370.15612 194.6
[M+Na-2H]- 392.13807 200.0
[M]+ 371.16285 196.5
[M]- 371.16395 196.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.