CID 10025103

N-stearoyldopamine

Structural Information

Molecular Formula
C26H45NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C26H45NO3/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/h18-19,22,28-29H,2-17,20-21H2,1H3,(H,27,30)
InChIKey
KOCSVLPLQCBIGW-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dihydroxyphenyl)ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

26
Patents

419.33994 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.34722 212.9
[M+Na]+ 442.32916 212.8
[M-H]- 418.33266 210.9
[M+NH4]+ 437.37376 221.6
[M+K]+ 458.30310 206.7
[M+H-H2O]+ 402.33720 203.9
[M+HCOO]- 464.33814 229.4
[M+CH3COO]- 478.35379 229.8
[M+Na-2H]- 440.31461 208.8
[M]+ 419.33939 218.0
[M]- 419.34049 218.0
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