CID 3349179

476483-66-6

Structural Information

Molecular Formula
C23H20ClN3O2
SMILES
COC1=CC=CC=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4Cl)N)C#N
InChI
InChI=1S/C23H20ClN3O2/c1-29-20-12-5-2-7-14(20)21-15(13-25)23(26)27(17-9-4-3-8-16(17)24)18-10-6-11-19(28)22(18)21/h2-5,7-9,12,21H,6,10-11,26H2,1H3
InChIKey
SHOPDXWVZZFOLN-UHFFFAOYSA-N
Compound name
2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1244 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13168 199.1
[M+Na]+ 428.11362 214.4
[M+NH4]+ 423.15822 203.8
[M+K]+ 444.08756 201.7
[M-H]- 404.11712 198.5
[M+Na-2H]- 426.09907 203.7
[M]+ 405.12385 200.7
[M]- 405.12495 200.7
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.