CID 35890

Ethylamine, 2-(dibenzo(b,f)thiepin-10-yloxy)-n,n-dimethyl-, maleate (1:1)

Structural Information

Molecular Formula

C₁₈H₁₉NOS

SMILES

CN(C)CCOC1=CC2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C18H19NOS/c1-19(2)11-12-20-16-13-14-7-3-5-9-17(14)21-18-10-6-4-8-15(16)18/h3-10,13H,11-12H2,1-2H3

InChIKey

JDLCNBJQSZSYOS-UHFFFAOYSA-N

Compound name

2-benzo[b][1]benzothiepin-5-yloxy-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 297.11874 Da
Monoisotopic Mass: 4.2
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]+	298.126016	167.6
[M+Na]+	320.107958	173.5
[M-H]-	296.111464	175.1
[M+NH4]+	315.152563	184.9
[M+K]+	336.081898	174.0
[M+H-H2O]+	280.116000	162.2
[M+HCOO]-	342.116941	184.8
[M+CH3COO]-	356.132591	178.8
[M+Na-2H]-	318.093406	172.5
[M]+	297.11819142	169.8
[M]-	297.11928858	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe