CID 4340670

339336-58-2

Structural Information

Molecular Formula
C24H23N3O3
SMILES
COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4)N)C#N)OC
InChI
InChI=1S/C24H23N3O3/c1-29-20-12-11-15(13-21(20)30-2)22-17(14-25)24(26)27(16-7-4-3-5-8-16)18-9-6-10-19(28)23(18)22/h3-5,7-8,11-13,22H,6,9-10,26H2,1-2H3
InChIKey
ZWZLBSMFUZMRKU-UHFFFAOYSA-N
Compound name
2-amino-4-(3,4-dimethoxyphenyl)-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

401.17395 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18123 201.3
[M+Na]+ 424.16317 215.3
[M+NH4]+ 419.20777 205.1
[M+K]+ 440.13711 203.6
[M-H]- 400.16667 200.2
[M+Na-2H]- 422.14862 205.2
[M]+ 401.17340 202.2
[M]- 401.17450 202.2
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.