CID 201972

7192-66-7

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCN(CC)C(=O)C1=CC(=C(C(=C1)C)OCC=C)C
InChI
InChI=1S/C16H23NO2/c1-6-9-19-15-12(4)10-14(11-13(15)5)16(18)17(7-2)8-3/h6,10-11H,1,7-9H2,2-5H3
InChIKey
ZIQJZCYECYAVKQ-UHFFFAOYSA-N
Compound name
N,N-diethyl-3,5-dimethyl-4-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 162.5
[M+Na]+ 284.16210 169.4
[M-H]- 260.16560 167.5
[M+NH4]+ 279.20670 180.3
[M+K]+ 300.13604 167.6
[M+H-H2O]+ 244.17014 155.7
[M+HCOO]- 306.17108 186.1
[M+CH3COO]- 320.18673 206.8
[M+Na-2H]- 282.14755 163.3
[M]+ 261.17233 167.4
[M]- 261.17343 167.4
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.