CID 96269

7192-55-4

Structural Information

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

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.24275 181.2
[M+Na]+ 340.22469 186.4
[M-H]- 316.22819 185.4
[M+NH4]+ 335.26929 196.7
[M+K]+ 356.19863 183.5
[M+H-H2O]+ 300.23273 173.6
[M+HCOO]- 362.23367 203.5
[M+CH3COO]- 376.24932 218.7
[M+Na-2H]- 338.21014 179.8
[M]+ 317.23492 187.6
[M]- 317.23602 187.6
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

patents stripe