CID 4211931

312536-73-5

Structural Information

Molecular Formula
C23H18ClN3O3
SMILES
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)Cl)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1
InChI
InChI=1S/C23H18ClN3O3/c24-14-3-1-4-15(10-14)27-17-5-2-6-18(28)22(17)21(16(11-25)23(27)26)13-7-8-19-20(9-13)30-12-29-19/h1,3-4,7-10,21H,2,5-6,12,26H2
InChIKey
RQDMUDAABHUWJL-UHFFFAOYSA-N
Compound name
2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.10367 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.11095 204.4
[M+Na]+ 442.09289 219.1
[M+NH4]+ 437.13749 209.1
[M+K]+ 458.06683 209.0
[M-H]- 418.09639 205.6
[M+Na-2H]- 440.07834 206.0
[M]+ 419.10312 206.5
[M]- 419.10422 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.