CID 4207413

311765-36-3

Structural Information

Molecular Formula
C21H15BrCl2N4O
SMILES
C1CC2=C(C(C(=C(N2C3=NC=C(C=C3)Br)N)C#N)C4=C(C=C(C=C4)Cl)Cl)C(=O)C1
InChI
InChI=1S/C21H15BrCl2N4O/c22-11-4-7-18(27-10-11)28-16-2-1-3-17(29)20(16)19(14(9-25)21(28)26)13-6-5-12(23)8-15(13)24/h4-8,10,19H,1-3,26H2
InChIKey
GGPRBESJAGNKMY-UHFFFAOYSA-N
Compound name
2-amino-1-(5-bromopyridin-2-yl)-4-(2,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.98062 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.98790 203.5
[M+Na]+ 510.96984 218.6
[M-H]- 486.97334 208.7
[M+NH4]+ 506.01444 213.0
[M+K]+ 526.94378 200.4
[M+H-H2O]+ 470.97788 194.0
[M+HCOO]- 532.97882 208.5
[M+CH3COO]- 546.99447 211.6
[M+Na-2H]- 508.95529 203.2
[M]+ 487.98007 214.8
[M]- 487.98117 214.8
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.