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]+ 318.24275 181.8
[M+Na]+ 340.22469 186.5
[M-H]- 316.22819 184.5
[M+NH4]+ 335.26929 196.5
[M+K]+ 356.19863 182.8
[M+H-H2O]+ 300.23273 174.4
[M+HCOO]- 362.23367 202.5
[M+CH3COO]- 376.24932 216.2
[M+Na-2H]- 338.21014 179.8
[M]+ 317.23492 186.2
[M]- 317.23602 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.