CID 5937642

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

Structural Information

Molecular Formula
C23H36N4O4
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C23H36N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(28)24-19-23(29)26-25-18-20-14-16-21(17-15-20)27(30)31/h14-18H,2-13,19H2,1H3,(H,24,28)(H,26,29)/b25-18+
InChIKey
CXMXGXOJPPBYEX-XIEYBQDHSA-N
Compound name
N-[2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.27365 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.28093 210.1
[M+Na]+ 455.26287 208.9
[M-H]- 431.26637 212.4
[M+NH4]+ 450.30747 235.0
[M+K]+ 471.23681 201.3
[M+H-H2O]+ 415.27091 204.3
[M+HCOO]- 477.27185 242.9
[M+CH3COO]- 491.28750 233.8
[M+Na-2H]- 453.24832 210.8
[M]+ 432.27310 212.6
[M]- 432.27420 212.6
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.