CID 24837735

13-docosenamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-, (z)-

Structural Information

Molecular Formula
C30H51NO3
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C30H51NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(33)31-26-27-23-24-28(32)29(25-27)34-2/h10-11,23-25,32H,3-9,12-22,26H2,1-2H3,(H,31,33)/b11-10-
InChIKey
JHBDBWRBUIIWSE-KHPPLWFESA-N
Compound name
(Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]docos-13-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

473.3869 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.39418 229.1
[M+Na]+ 496.37612 228.1
[M-H]- 472.37962 227.8
[M+NH4]+ 491.42072 236.3
[M+K]+ 512.35006 221.3
[M+H-H2O]+ 456.38416 219.2
[M+HCOO]- 518.38510 246.0
[M+CH3COO]- 532.40075 242.5
[M+Na-2H]- 494.36157 223.4
[M]+ 473.38635 236.7
[M]- 473.38745 236.7
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