CID 6434326

Esa-pih

Structural Information

Molecular Formula
C27H42N2O
SMILES
CCCC/C=C/C=C/C=C/CCCCCCCC(=O)NNC(C)CC1=CC=CC=C1
InChI
InChI=1S/C27H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(30)29-28-25(2)24-26-21-18-17-19-22-26/h6-11,17-19,21-22,25,28H,3-5,12-16,20,23-24H2,1-2H3,(H,29,30)/b7-6+,9-8+,11-10+
InChIKey
MVODVDZLZWGBNM-OBWVEWQSSA-N
Compound name
(9E,11E,13E)-N'-(1-phenylpropan-2-yl)octadeca-9,11,13-trienehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.3297 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.33698 212.6
[M+Na]+ 433.31892 211.4
[M-H]- 409.32242 212.8
[M+NH4]+ 428.36352 222.2
[M+K]+ 449.29286 204.1
[M+H-H2O]+ 393.32696 202.9
[M+HCOO]- 455.32790 232.1
[M+CH3COO]- 469.34355 232.9
[M+Na-2H]- 431.30437 209.3
[M]+ 410.32915 214.5
[M]- 410.33025 214.5
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.