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 208.1
[M+Na]+ 441.14526 218.1
[M-H]- 417.14876 214.9
[M+NH4]+ 436.18986 217.1
[M+K]+ 457.11920 207.9
[M+H-H2O]+ 401.15330 191.8
[M+HCOO]- 463.15424 218.6
[M+CH3COO]- 477.16989 214.8
[M+Na-2H]- 439.13071 206.0
[M]+ 418.15549 202.0
[M]- 418.15659 202.0
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.