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

17
Patents

416.34027 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.34755 209.2
[M+Na]+ 439.32949 209.8
[M-H]- 415.33299 212.0
[M+NH4]+ 434.37409 215.2
[M+K]+ 455.30343 203.5
[M+H-H2O]+ 399.33753 200.4
[M+HCOO]- 461.33847 228.2
[M+CH3COO]- 475.35412 238.1
[M+Na-2H]- 437.31494 203.4
[M]+ 416.33972 215.9
[M]- 416.34082 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