CID 4055158

68360-20-3

Structural Information

Molecular Formula

C₁₇H₁₉NO₃

SMILES

COC1=C(C=C(C=C1)CCNC=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO3/c1-20-16-8-7-14(9-10-18-13-19)11-17(16)21-12-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,18,19)

InChIKey

NTJFXBPUMLVOAE-UHFFFAOYSA-N

Compound name

N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 285.1365 Da
Monoisotopic Mass: 2.7
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]+	286.143776	165.7
[M+Na]+	308.125718	172.0
[M-H]-	284.129224	172.1
[M+NH4]+	303.170323	180.9
[M+K]+	324.099658	168.5
[M+H-H2O]+	268.133760	157.1
[M+HCOO]-	330.134701	190.9
[M+CH3COO]-	344.150351	203.5
[M+Na-2H]-	306.111166	171.1
[M]+	285.13595142	169.4
[M]-	285.13704858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe