CID 6434380

Esa-bzh

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]+ 383.30568 202.7
[M+Na]+ 405.28762 202.6
[M-H]- 381.29112 203.2
[M+NH4]+ 400.33222 213.6
[M+K]+ 421.26156 195.3
[M+H-H2O]+ 365.29566 193.3
[M+HCOO]- 427.29660 223.9
[M+CH3COO]- 441.31225 226.2
[M+Na-2H]- 403.27307 201.8
[M]+ 382.29785 204.5
[M]- 382.29895 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.