CID 71770342

Macamide impurity 11

Structural Information

Molecular Formula
C25H37NO2
SMILES
CCCCCCCCC/C=C/C=C/C(=O)CCCC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-24(27)20-16-21-25(28)26-22-23-17-13-12-14-18-23/h10-15,17-19H,2-9,16,20-22H2,1H3,(H,26,28)/b11-10+,19-15+
InChIKey
DKMGVACNAAKVRR-MRBSYODNSA-N
Compound name
(6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

383.28244 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.28972 203.5
[M+Na]+ 406.27166 203.9
[M-H]- 382.27516 204.1
[M+NH4]+ 401.31626 214.5
[M+K]+ 422.24560 197.6
[M+H-H2O]+ 366.27970 194.4
[M+HCOO]- 428.28064 222.9
[M+CH3COO]- 442.29629 224.6
[M+Na-2H]- 404.25711 200.9
[M]+ 383.28189 206.9
[M]- 383.28299 206.9
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