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]+ 332.22203 186.2
[M+Na]+ 354.20397 189.5
[M-H]- 330.20747 190.1
[M+NH4]+ 349.24857 199.7
[M+K]+ 370.17791 187.0
[M+H-H2O]+ 314.21201 178.8
[M+HCOO]- 376.21295 205.2
[M+CH3COO]- 390.22860 213.0
[M+Na-2H]- 352.18942 188.2
[M]+ 331.21420 191.0
[M]- 331.21530 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.