CID 51060750

N'-(4-(diethylamino)benzylidene)hexadecanohydrazide

Structural Information

Molecular Formula
C27H47N3O
SMILES
CCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)N(CC)CC
InChI
InChI=1S/C27H47N3O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)29-28-24-25-20-22-26(23-21-25)30(5-2)6-3/h20-24H,4-19H2,1-3H3,(H,29,31)/b28-24+
InChIKey
ULORBYYBBKXPHO-ZZIIXHQDSA-N
Compound name
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.37192 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.37920 218.5
[M+Na]+ 452.36114 217.3
[M-H]- 428.36464 221.6
[M+NH4]+ 447.40574 228.6
[M+K]+ 468.33508 213.2
[M+H-H2O]+ 412.36918 207.7
[M+HCOO]- 474.37012 241.5
[M+CH3COO]- 488.38577 247.0
[M+Na-2H]- 450.34659 215.7
[M]+ 429.37137 225.3
[M]- 429.37247 225.3
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.