CID 45054653

N-(2-(2-(3-chlorobenzylidene)hydrazino)-2-oxoethyl)tetradecanamide

Structural Information

Molecular Formula
C23H36ClN3O2
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC(=CC=C1)Cl
InChI
InChI=1S/C23H36ClN3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(28)25-19-23(29)27-26-18-20-14-13-15-21(24)17-20/h13-15,17-18H,2-12,16,19H2,1H3,(H,25,28)(H,27,29)/b26-18+
InChIKey
GVMKTJHUOVNDFB-NLRVBDNBSA-N
Compound name
N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.2496 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.25688 209.9
[M+Na]+ 444.23882 211.1
[M-H]- 420.24232 212.3
[M+NH4]+ 439.28342 220.5
[M+K]+ 460.21276 205.0
[M+H-H2O]+ 404.24686 201.0
[M+HCOO]- 466.24780 228.8
[M+CH3COO]- 480.26345 236.7
[M+Na-2H]- 442.22427 208.3
[M]+ 421.24905 216.2
[M]- 421.25015 216.2
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.