CID 71588938

Chembl3394380

Structural Information

Molecular Formula
C26H43NO
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](C)C1=CC=CC=C1
InChI
InChI=1S/C26H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)27-24(2)25-21-18-17-19-22-25/h10-11,17-19,21-22,24H,3-9,12-16,20,23H2,1-2H3,(H,27,28)/b11-10-/t24-/m0/s1
InChIKey
FJLUUWDWYAESOS-QROQDFCZSA-N
Compound name
(Z)-N-[(1S)-1-phenylethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

385.33447 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.34175 207.6
[M+Na]+ 408.32369 207.0
[M-H]- 384.32719 207.9
[M+NH4]+ 403.36829 218.6
[M+K]+ 424.29763 201.0
[M+H-H2O]+ 368.33173 198.4
[M+HCOO]- 430.33267 226.0
[M+CH3COO]- 444.34832 227.8
[M+Na-2H]- 406.30914 204.3
[M]+ 385.33392 211.5
[M]- 385.33502 211.5
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

No patent data available for this compound.