CID 59157

101931-49-1

Structural Information

Molecular Formula
C18H13ClN2O2
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)NNC(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H13ClN2O2/c19-14-8-3-7-13(11-14)17(22)20-21-18(23)16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H,20,22)(H,21,23)
InChIKey
YLTYDAQGPZVZCA-UHFFFAOYSA-N
Compound name
N'-(3-chlorobenzoyl)naphthalene-1-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

324.06656 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.073836 172.5
[M+Na]+ 347.055778 179.7
[M-H]- 323.059284 179.9
[M+NH4]+ 342.100383 187.5
[M+K]+ 363.029718 173.7
[M+H-H2O]+ 307.063820 164.9
[M+HCOO]- 369.064761 191.6
[M+CH3COO]- 383.080411 209.9
[M+Na-2H]- 345.041226 178.2
[M]+ 324.06601142 173.6
[M]- 324.06710858 173.6
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.