CID 9622681

N-(2-oxo-2-(2-(3-phenyl-2-propenylidene)hydrazino)ethyl)tetradecanamide

Structural Information

Molecular Formula
C25H39N3O2
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/C=C/C1=CC=CC=C1
InChI
InChI=1S/C25H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-15-20-24(29)26-22-25(30)28-27-21-16-19-23-17-13-12-14-18-23/h12-14,16-19,21H,2-11,15,20,22H2,1H3,(H,26,29)(H,28,30)/b19-16+,27-21+
InChIKey
GHJAFZKDUDHYBU-SIKIBLSGSA-N
Compound name
N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.30423 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.31151 209.6
[M+Na]+ 436.29345 208.6
[M-H]- 412.29695 211.4
[M+NH4]+ 431.33805 219.3
[M+K]+ 452.26739 203.4
[M+H-H2O]+ 396.30149 199.2
[M+HCOO]- 458.30243 232.5
[M+CH3COO]- 472.31808 236.6
[M+Na-2H]- 434.27890 208.3
[M]+ 413.30368 213.2
[M]- 413.30478 213.2
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.