CID 5134696

312275-76-6

Structural Information

Molecular Formula
C24H23ClN4O
SMILES
CN(C)C1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)Cl)N)C#N
InChI
InChI=1S/C24H23ClN4O/c1-28(2)17-10-6-15(7-11-17)22-19(14-26)24(27)29(18-12-8-16(25)9-13-18)20-4-3-5-21(30)23(20)22/h6-13,22H,3-5,27H2,1-2H3
InChIKey
MFNBHXASGJKBHS-UHFFFAOYSA-N
Compound name
2-amino-1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

418.15604 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16332 204.8
[M+Na]+ 441.14526 219.3
[M+NH4]+ 436.18986 209.5
[M+K]+ 457.11920 206.7
[M-H]- 417.14876 205.0
[M+Na-2H]- 439.13071 209.3
[M]+ 418.15549 206.5
[M]- 418.15659 206.5
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.