CID 3428723

312272-80-3

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]+ 372.170676 195.1
[M+Na]+ 394.152618 204.6
[M-H]- 370.156124 200.9
[M+NH4]+ 389.197223 204.5
[M+K]+ 410.126558 194.9
[M+H-H2O]+ 354.160660 178.3
[M+HCOO]- 416.161601 208.9
[M+CH3COO]- 430.177251 202.3
[M+Na-2H]- 392.138066 195.0
[M]+ 371.16285142 186.8
[M]- 371.16394858 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.