CID 24847460

Brn 0305747

Structural Information

Molecular Formula
C20H29NO3
SMILES
C=CCCCCCCCCC(=O)NCCC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C20H29NO3/c1-2-3-4-5-6-7-8-9-10-20(22)21-14-13-17-11-12-18-19(15-17)24-16-23-18/h2,11-12,15H,1,3-10,13-14,16H2,(H,21,22)
InChIKey
ATMIHEXODQJGAY-UHFFFAOYSA-N
Compound name
N-[2-(1,3-benzodioxol-5-yl)ethyl]undec-10-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.222026 186.2
[M+Na]+ 354.203968 189.5
[M-H]- 330.207474 190.1
[M+NH4]+ 349.248573 199.7
[M+K]+ 370.177908 187.0
[M+H-H2O]+ 314.212010 178.8
[M+HCOO]- 376.212951 205.2
[M+CH3COO]- 390.228601 213.0
[M+Na-2H]- 352.189416 188.2
[M]+ 331.21420142 191.0
[M]- 331.21529858 191.0
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.