CID 45054429

N-(2-(2-(4-((4-chlorobenzyl)oxy)benzylidene)hydrazino)-2-oxoethyl)dodecanamide

Structural Information

Molecular Formula
C28H38ClN3O3
SMILES
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C28H38ClN3O3/c1-2-3-4-5-6-7-8-9-10-11-27(33)30-21-28(34)32-31-20-23-14-18-26(19-15-23)35-22-24-12-16-25(29)17-13-24/h12-20H,2-11,21-22H2,1H3,(H,30,33)(H,32,34)/b31-20+
InChIKey
CDMFPRWNJCYDFG-AJBULDERSA-N
Compound name
N-[2-[(2E)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.26016 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.26744 228.1
[M+Na]+ 522.24938 229.0
[M-H]- 498.25288 233.5
[M+NH4]+ 517.29398 235.2
[M+K]+ 538.22332 222.3
[M+H-H2O]+ 482.25742 217.4
[M+HCOO]- 544.25836 246.8
[M+CH3COO]- 558.27401 250.3
[M+Na-2H]- 520.23483 226.2
[M]+ 499.25961 235.5
[M]- 499.26071 235.5
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.