CID 201967

Brn 2597400

Structural Information

Molecular Formula
C20H31NO2
SMILES
CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)NCC(C)C
InChI
InChI=1S/C20H31NO2/c1-6-9-16-12-18(20(22)21-14-15(4)5)13-17(10-7-2)19(16)23-11-8-3/h8,12-13,15H,3,6-7,9-11,14H2,1-2,4-5H3,(H,21,22)
InChIKey
YQUIEZQPQABXJV-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)-4-prop-2-enoxy-3,5-dipropylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.23547 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.242746 181.8
[M+Na]+ 340.224688 186.5
[M-H]- 316.228194 184.5
[M+NH4]+ 335.269293 196.5
[M+K]+ 356.198628 182.8
[M+H-H2O]+ 300.232730 174.4
[M+HCOO]- 362.233671 202.5
[M+CH3COO]- 376.249321 216.2
[M+Na-2H]- 338.210136 179.8
[M]+ 317.23492142 186.2
[M]- 317.23601858 186.2
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.