CID 9660337

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

Structural Information

Molecular Formula
C25H43N3O
SMILES
CCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C25H43N3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)27-26-22-23-18-20-24(21-19-23)28(2)3/h18-22H,4-17H2,1-3H3,(H,27,29)/b26-22+
InChIKey
TVYRYOJEHQNDTQ-XTCLZLMSSA-N
Compound name
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.3406 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.34788 209.8
[M+Na]+ 424.32982 209.5
[M-H]- 400.33332 213.3
[M+NH4]+ 419.37442 221.1
[M+K]+ 440.30376 205.8
[M+H-H2O]+ 384.33786 199.4
[M+HCOO]- 446.33880 233.5
[M+CH3COO]- 460.35445 241.1
[M+Na-2H]- 422.31527 208.0
[M]+ 401.34005 215.9
[M]- 401.34115 215.9
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.