CID 6441067

N-isobutyl-2,4-eicosadienamide

Structural Information

Molecular Formula
C24H45NO
SMILES
CCCCCCCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C
InChI
InChI=1S/C24H45NO/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/h18-21,23H,4-17,22H2,1-3H3,(H,25,26)/b19-18+,21-20+
InChIKey
LMZPUHBJSQVRHE-HYGARKJASA-N
Compound name
(2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

363.35013 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.35741 204.6
[M+Na]+ 386.33935 204.1
[M-H]- 362.34285 201.7
[M+NH4]+ 381.38395 217.0
[M+K]+ 402.31329 198.7
[M+H-H2O]+ 346.34739 196.7
[M+HCOO]- 408.34833 222.3
[M+CH3COO]- 422.36398 225.1
[M+Na-2H]- 384.32480 199.8
[M]+ 363.34958 209.6
[M]- 363.35068 209.6
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