CID 155618143

(z)-n-[2-(3,4-dihydroxyphenyl)ethyl]hexadec-9-enamide

Structural Information

Molecular Formula
C24H39NO3
SMILES
CCCCCC/C=C\CCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)25-19-18-21-16-17-22(26)23(27)20-21/h7-8,16-17,20,26-27H,2-6,9-15,18-19H2,1H3,(H,25,28)/b8-7-
InChIKey
IPUUEZXWDWREBJ-FPLPWBNLSA-N
Compound name
(Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]hexadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.293 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.30028 203.2
[M+Na]+ 412.28222 204.4
[M-H]- 388.28572 201.7
[M+NH4]+ 407.32682 213.2
[M+K]+ 428.25616 198.1
[M+H-H2O]+ 372.29026 194.8
[M+HCOO]- 434.29120 220.6
[M+CH3COO]- 448.30685 222.5
[M+Na-2H]- 410.26767 200.1
[M]+ 389.29245 206.8
[M]- 389.29355 206.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.