CID 131751008

N-isobutyl-2,4,8-eicosatrienamide

Structural Information

Molecular Formula
C24H43NO
SMILES
CCCCCCCCCCC/C=C\CC/C=C/C=C\C(=O)NCC(C)C
InChI
InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h14-15,18-21,23H,4-13,16-17,22H2,1-3H3,(H,25,26)/b15-14-,19-18+,21-20-
InChIKey
WBBCNGSATYECFE-LSJCJZQESA-N
Compound name
(2Z,4E,8Z)-N-(2-methylpropyl)icosa-2,4,8-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

361.33447 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.34175 203.0
[M+Na]+ 384.32369 203.0
[M-H]- 360.32719 200.3
[M+NH4]+ 379.36829 215.6
[M+K]+ 400.29763 197.0
[M+H-H2O]+ 344.33173 195.3
[M+HCOO]- 406.33267 221.0
[M+CH3COO]- 420.34832 223.6
[M+Na-2H]- 382.30914 198.3
[M]+ 361.33392 207.3
[M]- 361.33502 207.3
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