CID 4147658

442523-14-0

Structural Information

Molecular Formula
C18H14Cl2N6O
SMILES
C1CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=C(C=C(C=C4)Cl)Cl)C(=O)C1
InChI
InChI=1S/C18H14Cl2N6O/c19-9-4-5-10(12(20)6-9)15-11(7-21)17(22)26(18-23-8-24-25-18)13-2-1-3-14(27)16(13)15/h4-6,8,15H,1-3,22H2,(H,23,24,25)
InChIKey
AFVNHNWGGLICGC-UHFFFAOYSA-N
Compound name
2-amino-4-(2,4-dichlorophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

400.0606 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.06788 192.2
[M+Na]+ 423.04982 206.4
[M+NH4]+ 418.09442 195.5
[M+K]+ 439.02376 197.0
[M-H]- 399.05332 188.8
[M+Na-2H]- 421.03527 195.0
[M]+ 400.06005 192.9
[M]- 400.06115 192.9
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.