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]+ 298.07418 166.0
[M+Na]+ 320.05612 175.1
[M-H]- 296.05962 172.0
[M+NH4]+ 315.10072 181.0
[M+K]+ 336.03006 168.3
[M+H-H2O]+ 280.06416 157.9
[M+HCOO]- 342.06510 184.4
[M+CH3COO]- 356.08075 177.4
[M+Na-2H]- 318.04157 172.4
[M]+ 297.06635 166.4
[M]- 297.06745 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.