CID 2853045

3,4-dimethoxy-n-(oxolan-2-ylmethyl)benzamide

Structural Information

Molecular Formula
C14H19NO4
SMILES
COC1=C(C=C(C=C1)C(=O)NCC2CCCO2)OC
InChI
InChI=1S/C14H19NO4/c1-17-12-6-5-10(8-13(12)18-2)14(16)15-9-11-4-3-7-19-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKey
XENHVEGRCFKEIE-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

265.1314 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.138676 160.3
[M+Na]+ 288.120618 165.6
[M-H]- 264.124124 167.4
[M+NH4]+ 283.165223 176.9
[M+K]+ 304.094558 165.2
[M+H-H2O]+ 248.128660 153.3
[M+HCOO]- 310.129601 182.7
[M+CH3COO]- 324.145251 197.5
[M+Na-2H]- 286.106066 162.8
[M]+ 265.13085142 162.3
[M]- 265.13194858 162.3
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.