CID 5318518

N-isobutyl-2,4,8,10,12-tetradecapentaenamide

Structural Information

Molecular Formula
C18H27NO
SMILES
C/C=C/C=C/C=C/CC/C=C/C=C/C(=O)NCC(C)C
InChI
InChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+
InChIKey
KVUKDCFEXVWYBN-FMBIJHKPSA-N
Compound name
(2E,4E,8E,10E,12E)-N-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

49
References

252
Patents

273.20926 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21654 173.4
[M+Na]+ 296.19848 176.6
[M-H]- 272.20198 172.0
[M+NH4]+ 291.24308 189.6
[M+K]+ 312.17242 171.0
[M+H-H2O]+ 256.20652 167.1
[M+HCOO]- 318.20746 193.8
[M+CH3COO]- 332.22311 202.6
[M+Na-2H]- 294.18393 172.0
[M]+ 273.20871 173.9
[M]- 273.20981 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe