CID 51061058

N'-(4-chloro-3-nitrobenzylidene)hexadecanohydrazide

Structural Information

Molecular Formula
C23H36ClN3O3
SMILES
CCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C23H36ClN3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(28)26-25-19-20-16-17-21(24)22(18-20)27(29)30/h16-19H,2-15H2,1H3,(H,26,28)/b25-19+
InChIKey
XICXQZGTERMBNH-NCELDCMTSA-N
Compound name
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.2445 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.25178 210.4
[M+Na]+ 460.23372 219.8
[M+NH4]+ 455.27832 215.3
[M+K]+ 476.20766 213.0
[M-H]- 436.23722 213.4
[M+Na-2H]- 458.21917 212.7
[M]+ 437.24395 212.5
[M]- 437.24505 212.5
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.