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 215.3
[M+Na]+ 460.23372 216.6
[M-H]- 436.23722 217.7
[M+NH4]+ 455.27832 225.0
[M+K]+ 476.20766 206.5
[M+H-H2O]+ 420.24176 211.3
[M+HCOO]- 482.24270 234.7
[M+CH3COO]- 496.25835 232.5
[M+Na-2H]- 458.21917 214.8
[M]+ 437.24395 221.3
[M]- 437.24505 221.3
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.