CID 3048963

64179-38-0

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

C1C2=CC=CC=C2C(O1)NC3=CC4=C(C=C3)OCOC4

InChI

InChI=1S/C16H15NO3/c1-2-4-14-11(3-1)9-19-16(14)17-13-5-6-15-12(7-13)8-18-10-20-15/h1-7,16-17H,8-10H2

InChIKey

WREMJSBKOBCPCI-UHFFFAOYSA-N

Compound name

N-(1,3-dihydro-2-benzofuran-1-yl)-4H-1,3-benzodioxin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.1052 Da
Monoisotopic Mass: 2.4
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]+	270.112476	156.8
[M+Na]+	292.094418	163.5
[M-H]-	268.097924	166.7
[M+NH4]+	287.139023	172.2
[M+K]+	308.068358	163.0
[M+H-H2O]+	252.102460	150.0
[M+HCOO]-	314.103401	175.3
[M+CH3COO]-	328.119051	169.1
[M+Na-2H]-	290.079866	165.0
[M]+	269.10465142	156.8
[M]-	269.10574858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.