CID 213574

Fc 56

Structural Information

Molecular Formula
C14H19NO4
SMILES
COC1=CC(=CC(=C1OC)C(=O)NCCO)CC=C
InChI
InChI=1S/C14H19NO4/c1-4-5-10-8-11(14(17)15-6-7-16)13(19-3)12(9-10)18-2/h4,8-9,16H,1,5-7H2,2-3H3,(H,15,17)
InChIKey
IWPQUPCBUBNYNT-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-2,3-dimethoxy-5-prop-2-enylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

265.1314 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.3
[M+Na]+ 288.12062 167.2
[M-H]- 264.12412 162.7
[M+NH4]+ 283.16522 176.4
[M+K]+ 304.09456 164.7
[M+H-H2O]+ 248.12866 153.7
[M+HCOO]- 310.12960 183.0
[M+CH3COO]- 324.14525 199.1
[M+Na-2H]- 286.10607 162.4
[M]+ 265.13085 164.2
[M]- 265.13195 164.2
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