CID 45054901

N-(2-(2-(4-((4-methylbenzyl)oxy)benzylidene)hydrazino)-2-oxoethyl)decanamide

Structural Information

Molecular Formula
C27H37N3O3
SMILES
CCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC=C(C=C1)OCC2=CC=C(C=C2)C
InChI
InChI=1S/C27H37N3O3/c1-3-4-5-6-7-8-9-10-26(31)28-20-27(32)30-29-19-23-15-17-25(18-16-23)33-21-24-13-11-22(2)12-14-24/h11-19H,3-10,20-21H2,1-2H3,(H,28,31)(H,30,32)/b29-19+
InChIKey
VCMCXTUQWLWKFZ-VUTHCHCSSA-N
Compound name
N-[2-[(2E)-2-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.28348 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.29076 216.4
[M+Na]+ 474.27270 216.9
[M-H]- 450.27620 222.2
[M+NH4]+ 469.31730 224.4
[M+K]+ 490.24664 212.2
[M+H-H2O]+ 434.28074 205.0
[M+HCOO]- 496.28168 239.9
[M+CH3COO]- 510.29733 244.1
[M+Na-2H]- 472.25815 215.5
[M]+ 451.28293 220.9
[M]- 451.28403 220.9
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.