CID 5282106

N-oleoyldopamine

Structural Information

Molecular Formula
C26H43NO3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-
InChIKey
QQBPLXNESPTPNU-KTKRTIGZSA-N
Compound name
(Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

86
References

679
Patents

417.32428 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.33156 211.8
[M+Na]+ 440.31350 212.1
[M-H]- 416.31700 209.9
[M+NH4]+ 435.35810 220.6
[M+K]+ 456.28744 205.4
[M+H-H2O]+ 400.32154 203.0
[M+HCOO]- 462.32248 228.6
[M+CH3COO]- 476.33813 228.4
[M+Na-2H]- 438.29895 207.7
[M]+ 417.32373 216.1
[M]- 417.32483 216.1
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