CID 44222268

Termitomycamide e

Structural Information

Molecular Formula
C26H41NO2
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCC1=CC=C(C=C1)O
InChI
InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(29)27-23-22-24-18-20-25(28)21-19-24/h6-7,9-10,18-21,28H,2-5,8,11-17,22-23H2,1H3,(H,27,29)/b7-6-,10-9-
InChIKey
JTSNNDBVDQFVEG-HZJYTTRNSA-N
Compound name
(9Z,12Z)-N-[2-(4-hydroxyphenyl)ethyl]octadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.31372 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.32100 208.1
[M+Na]+ 422.30294 208.5
[M-H]- 398.30644 207.4
[M+NH4]+ 417.34754 218.2
[M+K]+ 438.27688 201.2
[M+H-H2O]+ 382.31098 199.1
[M+HCOO]- 444.31192 226.4
[M+CH3COO]- 458.32757 226.2
[M+Na-2H]- 420.28839 205.1
[M]+ 399.31317 211.7
[M]- 399.31427 211.7
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.