CID 45055020

N-(2-(2-(4-chloro-3-nitrobenzylidene)hydrazino)-2-oxoethyl)tetradecanamide

Structural Information

Molecular Formula
C23H35ClN4O4
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C23H35ClN4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(29)25-18-23(30)27-26-17-19-14-15-20(24)21(16-19)28(31)32/h14-17H,2-13,18H2,1H3,(H,25,29)(H,27,30)/b26-17+
InChIKey
VOLKINWFFLGCQA-YZSQISJMSA-N
Compound name
N-[2-[(2E)-2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.23468 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.24196 219.2
[M+Na]+ 489.22390 219.4
[M-H]- 465.22740 221.6
[M+NH4]+ 484.26850 241.0
[M+K]+ 505.19784 210.2
[M+H-H2O]+ 449.23194 214.8
[M+HCOO]- 511.23288 248.3
[M+CH3COO]- 525.24853 238.4
[M+Na-2H]- 487.20935 218.5
[M]+ 466.23413 224.3
[M]- 466.23523 224.3
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.