CID 213575

26750-84-5

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

CC(CNC(=O)C1=C(C(=CC(=C1)CC=C)OC)O)O

InChI

InChI=1S/C14H19NO4/c1-4-5-10-6-11(13(17)12(7-10)19-3)14(18)15-8-9(2)16/h4,6-7,9,16-17H,1,5,8H2,2-3H3,(H,15,18)

InChIKey

UGHYKFSASASZDS-UHFFFAOYSA-N

Compound name

2-hydroxy-N-(2-hydroxypropyl)-3-methoxy-5-prop-2-enylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 265.1314 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.138676	161.2
[M+Na]+	288.120618	167.3
[M-H]-	264.124124	162.2
[M+NH4]+	283.165223	176.4
[M+K]+	304.094558	164.5
[M+H-H2O]+	248.128660	154.9
[M+HCOO]-	310.129601	181.3
[M+CH3COO]-	324.145251	197.6
[M+Na-2H]-	286.106066	161.5
[M]+	265.13085142	162.5
[M]-	265.13194858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe