CID 6434380

9,11,13-octadecatrienoic acid, 2-benzylhydrazide, (e,z,e)-

Structural Information

Molecular Formula
C25H38N2O
SMILES
CCCC/C=C/C=C/C=C/CCCCCCCC(=O)NNCC1=CC=CC=C1
InChI
InChI=1S/C25H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(28)27-26-23-24-20-17-16-18-21-24/h5-10,16-18,20-21,26H,2-4,11-15,19,22-23H2,1H3,(H,27,28)/b6-5+,8-7+,10-9+
InChIKey
WPGSXPGVJKNECJ-SUTYWZMXSA-N
Compound name
(9E,11E,13E)-N'-benzyloctadeca-9,11,13-trienehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2984 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.305676 202.7
[M+Na]+ 405.287618 202.6
[M-H]- 381.291124 203.2
[M+NH4]+ 400.332223 213.6
[M+K]+ 421.261558 195.3
[M+H-H2O]+ 365.295660 193.3
[M+HCOO]- 427.296601 223.9
[M+CH3COO]- 441.312251 226.2
[M+Na-2H]- 403.273066 201.8
[M]+ 382.29785142 204.5
[M]- 382.29894858 204.5
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.