CID 95812

7192-53-2

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)N(C)C
InChI
InChI=1S/C18H27NO2/c1-6-9-14-12-16(18(20)19(4)5)13-15(10-7-2)17(14)21-11-8-3/h8,12-13H,3,6-7,9-11H2,1-2,4-5H3
InChIKey
CIPCFGSQAPALOR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-prop-2-enoxy-3,5-dipropylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 171.9
[M+Na]+ 312.19342 177.9
[M-H]- 288.19692 176.5
[M+NH4]+ 307.23802 188.6
[M+K]+ 328.16736 175.6
[M+H-H2O]+ 272.20146 164.7
[M+HCOO]- 334.20240 194.8
[M+CH3COO]- 348.21805 212.8
[M+Na-2H]- 310.17887 171.6
[M]+ 289.20365 177.6
[M]- 289.20475 177.6
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