CID 68316721

Cvl1msr5z2

Structural Information

Molecular Formula
C26H44N2O2
SMILES
CCCCCC(=O)N(CC/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1)C(C)C
InChI
InChI=1S/C26H44N2O2/c1-4-5-15-19-26(30)28(23(2)3)22-17-14-12-10-8-6-7-9-11-13-16-18-25(29)27-24-20-21-24/h6,8-9,11-12,14,23-24H,4-5,7,10,13,15-22H2,1-3H3,(H,27,29)/b8-6-,11-9-,14-12-
InChIKey
VQHBFTSOKKCZLR-LKWBQYPOSA-N
Compound name
(5Z,8Z,11Z)-N-cyclopropyl-14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

416.34027 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.347546 209.2
[M+Na]+ 439.329488 209.8
[M-H]- 415.332994 212.0
[M+NH4]+ 434.374093 215.2
[M+K]+ 455.303428 203.5
[M+H-H2O]+ 399.337530 200.4
[M+HCOO]- 461.338471 228.2
[M+CH3COO]- 475.354121 238.1
[M+Na-2H]- 437.314936 203.4
[M]+ 416.33972142 215.9
[M]- 416.34081858 215.9
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

patents stripe