CID 4651674

311334-36-8

Structural Information

Molecular Formula
C21H17ClN4O
SMILES
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CN=CC=C4)C(=O)C1
InChI
InChI=1S/C21H17ClN4O/c22-14-6-8-15(9-7-14)26-17-4-1-5-18(27)20(17)19(16(11-23)21(26)24)13-3-2-10-25-12-13/h2-3,6-10,12,19H,1,4-5,24H2
InChIKey
INMHXFUBNIPSFA-UHFFFAOYSA-N
Compound name
2-amino-1-(4-chlorophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.1091 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.11638 193.8
[M+Na]+ 399.09832 204.8
[M-H]- 375.10182 198.1
[M+NH4]+ 394.14292 202.6
[M+K]+ 415.07226 193.6
[M+H-H2O]+ 359.10636 177.0
[M+HCOO]- 421.10730 202.6
[M+CH3COO]- 435.12295 200.8
[M+Na-2H]- 397.08377 194.2
[M]+ 376.10855 186.3
[M]- 376.10965 186.3
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.