CID 102235522

Chembl4762433

Structural Information

Molecular Formula
C25H43NO3
SMILES
CCCCCCCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C25H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(27)26-21-22-18-19-23(28-2)24(20-22)29-3/h18-20H,4-17,21H2,1-3H3,(H,26,27)
InChIKey
LVPBNUHMEAUHHS-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.32428 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.33156 208.9
[M+Na]+ 428.31350 210.2
[M-H]- 404.31700 210.0
[M+NH4]+ 423.35810 219.7
[M+K]+ 444.28744 205.9
[M+H-H2O]+ 388.32154 199.6
[M+HCOO]- 450.32248 228.8
[M+CH3COO]- 464.33813 231.7
[M+Na-2H]- 426.29895 206.2
[M]+ 405.32373 217.5
[M]- 405.32483 217.5
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.