CID 49844192

Termitomycamide a

Structural Information

Molecular Formula
C26H39NO3
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-22-25(29)23-18-20-24(28)21-19-23/h6-7,9-10,18-21,28H,2-5,8,11-17,22H2,1H3,(H,27,30)/b7-6-,10-9-
InChIKey
FHGZNIDQJQMEQT-HZJYTTRNSA-N
Compound name
(9Z,12Z)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]octadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.293 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.30028 210.3
[M+Na]+ 436.28222 210.6
[M-H]- 412.28572 209.7
[M+NH4]+ 431.32682 219.5
[M+K]+ 452.25616 203.9
[M+H-H2O]+ 396.29026 201.3
[M+HCOO]- 458.29120 228.1
[M+CH3COO]- 472.30685 228.3
[M+Na-2H]- 434.26767 206.2
[M]+ 413.29245 214.0
[M]- 413.29355 214.0
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.