CID 4455508

351166-37-5

Structural Information

Molecular Formula
C22H17Cl2N3O
SMILES
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CC=C(C=C4)Cl)C(=O)C1
InChI
InChI=1S/C22H17Cl2N3O/c23-14-6-4-13(5-7-14)20-17(12-25)22(26)27(16-10-8-15(24)9-11-16)18-2-1-3-19(28)21(18)20/h4-11,20H,1-3,26H2
InChIKey
JZTFBYGDZWQGBL-UHFFFAOYSA-N
Compound name
2-amino-1,4-bis(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.07486 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.08214 201.6
[M+Na]+ 432.06408 214.0
[M-H]- 408.06758 207.0
[M+NH4]+ 427.10868 211.5
[M+K]+ 448.03802 201.8
[M+H-H2O]+ 392.07212 186.8
[M+HCOO]- 454.07306 207.2
[M+CH3COO]- 468.08871 208.7
[M+Na-2H]- 430.04953 200.1
[M]+ 409.07431 196.1
[M]- 409.07541 196.1
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.