CID 23633333

943518-63-6

Structural Information

Molecular Formula

C₁₆H₁₇NO₄

SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)O)OC

InChI

InChI=1S/C16H17NO4/c1-20-14-8-5-12(9-15(14)21-2)16(19)17-10-11-3-6-13(18)7-4-11/h3-9,18H,10H2,1-2H3,(H,17,19)

InChIKey

PHBYSUZNPFHIIS-UHFFFAOYSA-N

Compound name

N-[(4-hydroxyphenyl)methyl]-3,4-dimethoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 287.11575 Da
Monoisotopic Mass: 2.5
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]+	288.123026	164.8
[M+Na]+	310.104968	171.7
[M-H]-	286.108474	170.6
[M+NH4]+	305.149573	179.5
[M+K]+	326.078908	168.9
[M+H-H2O]+	270.113010	156.9
[M+HCOO]-	332.113951	188.1
[M+CH3COO]-	346.129601	201.7
[M+Na-2H]-	308.090416	168.4
[M]+	287.11520142	167.5
[M]-	287.11629858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe