CID 4532265

187398-75-0

Structural Information

Molecular Formula
C23H21N3O2
SMILES
COC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4)N)C#N
InChI
InChI=1S/C23H21N3O2/c1-28-17-12-10-15(11-13-17)21-18(14-24)23(25)26(16-6-3-2-4-7-16)19-8-5-9-20(27)22(19)21/h2-4,6-7,10-13,21H,5,8-9,25H2,1H3
InChIKey
KDDPRAAYXCPUTO-UHFFFAOYSA-N
Compound name
2-amino-4-(4-methoxyphenyl)-5-oxo-1-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 195.1
[M+Na]+ 394.15262 204.6
[M-H]- 370.15612 200.9
[M+NH4]+ 389.19722 204.5
[M+K]+ 410.12656 194.9
[M+H-H2O]+ 354.16066 178.3
[M+HCOO]- 416.16160 208.9
[M+CH3COO]- 430.17725 202.3
[M+Na-2H]- 392.13807 195.0
[M]+ 371.16285 186.8
[M]- 371.16395 186.8
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.