CID 854415

2-(4-chlorophenyl)quinoline-4-carbohydrazide

Structural Information

Molecular Formula
C16H12ClN3O
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NN
InChI
InChI=1S/C16H12ClN3O/c17-11-7-5-10(6-8-11)15-9-13(16(21)20-18)12-3-1-2-4-14(12)19-15/h1-9H,18H2,(H,20,21)
InChIKey
OPYVMDQJLITFPM-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)quinoline-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

297.0669 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.074176 166.0
[M+Na]+ 320.056118 175.1
[M-H]- 296.059624 172.0
[M+NH4]+ 315.100723 181.0
[M+K]+ 336.030058 168.3
[M+H-H2O]+ 280.064160 157.9
[M+HCOO]- 342.065101 184.4
[M+CH3COO]- 356.080751 177.4
[M+Na-2H]- 318.041566 172.4
[M]+ 297.06635142 166.4
[M]- 297.06744858 166.4
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.