CID 51060325

N'-(4-((4-chlorobenzyl)oxy)-3-ethoxybenzylidene)nonanohydrazide

Structural Information

Molecular Formula
C25H33ClN2O3
SMILES
CCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OCC2=CC=C(C=C2)Cl)OCC
InChI
InChI=1S/C25H33ClN2O3/c1-3-5-6-7-8-9-10-25(29)28-27-18-21-13-16-23(24(17-21)30-4-2)31-19-20-11-14-22(26)15-12-20/h11-18H,3-10,19H2,1-2H3,(H,28,29)/b27-18+
InChIKey
IKVCRLZKPXESPY-OVVQPSECSA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]nonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.21796 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.22524 212.5
[M+Na]+ 467.20718 216.6
[M-H]- 443.21068 218.9
[M+NH4]+ 462.25178 222.6
[M+K]+ 483.18112 210.4
[M+H-H2O]+ 427.21522 202.7
[M+HCOO]- 489.21616 232.0
[M+CH3COO]- 503.23181 238.2
[M+Na-2H]- 465.19263 212.0
[M]+ 444.21741 221.3
[M]- 444.21851 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.