CID 201973

Brn 2623755

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCCC1=CC(=CC(=C1OCC(=C)C)CCC)C(=O)N
InChI
InChI=1S/C17H25NO2/c1-5-7-13-9-15(17(18)19)10-14(8-6-2)16(13)20-11-12(3)4/h9-10H,3,5-8,11H2,1-2,4H3,(H2,18,19)
InChIKey
UCYYFROZGKATCS-UHFFFAOYSA-N
Compound name
4-(2-methylprop-2-enoxy)-3,5-dipropylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 168.4
[M+Na]+ 298.177758 174.3
[M-H]- 274.181264 171.2
[M+NH4]+ 293.222363 184.6
[M+K]+ 314.151698 171.0
[M+H-H2O]+ 258.185800 161.6
[M+HCOO]- 320.186741 189.5
[M+CH3COO]- 334.202391 207.3
[M+Na-2H]- 296.163206 167.0
[M]+ 275.18799142 170.8
[M]- 275.18908858 170.8
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.