CID 213580

26750-96-9

Structural Information

Molecular Formula

C₁₅H₂₁NO₃

SMILES

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

InChI

InChI=1S/C15H21NO3/c1-5-8-11-9-12(14(17)13(10-11)19-4)15(18)16(6-2)7-3/h5,9-10,17H,1,6-8H2,2-4H3

InChIKey

UEWVNNYSXBUJHX-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-hydroxy-3-methoxy-5-prop-2-enylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 263.15213 Da
Monoisotopic Mass: 3.4
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]+	264.159406	161.7
[M+Na]+	286.141348	168.4
[M-H]-	262.144854	165.4
[M+NH4]+	281.185953	178.6
[M+K]+	302.115288	166.5
[M+H-H2O]+	246.149390	155.0
[M+HCOO]-	308.150331	184.3
[M+CH3COO]-	322.165981	203.3
[M+Na-2H]-	284.126796	162.5
[M]+	263.15158142	165.8
[M]-	263.15267858	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe