CID 5206830

351166-35-3

Structural Information

Molecular Formula
C23H20BrN3O
SMILES
CC1=CC(=CC=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)Br)C(=O)CCC3
InChI
InChI=1S/C23H20BrN3O/c1-14-4-2-5-17(12-14)27-19-6-3-7-20(28)22(19)21(18(13-25)23(27)26)15-8-10-16(24)11-9-15/h2,4-5,8-12,21H,3,6-7,26H2,1H3
InChIKey
UZCGFIGHJJYYFI-UHFFFAOYSA-N
Compound name
2-amino-4-(4-bromophenyl)-1-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.07898 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.08626 197.4
[M+Na]+ 456.06820 203.3
[M+NH4]+ 451.11280 199.2
[M+K]+ 472.04214 197.0
[M-H]- 432.07170 195.9
[M+Na-2H]- 454.05365 199.0
[M]+ 433.07843 196.3
[M]- 433.07953 196.3
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.