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]+ 276.19582 168.4
[M+Na]+ 298.17776 174.3
[M-H]- 274.18126 171.2
[M+NH4]+ 293.22236 184.6
[M+K]+ 314.15170 171.0
[M+H-H2O]+ 258.18580 161.6
[M+HCOO]- 320.18674 189.5
[M+CH3COO]- 334.20239 207.3
[M+Na-2H]- 296.16321 167.0
[M]+ 275.18799 170.8
[M]- 275.18909 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.