CID 65535

Diethazine

Structural Information

Molecular Formula

C₁₈H₂₂N₂S

SMILES

CCN(CC)CCN1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C18H22N2S/c1-3-19(4-2)13-14-20-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20/h5-12H,3-4,13-14H2,1-2H3

InChIKey

LURMIKVZJSMXQE-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-phenothiazin-10-ylethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 23
References: 675
Patents: 298.15036 Da
Monoisotopic Mass: 4.9
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]+	299.157636	167.6
[M+Na]+	321.139578	174.2
[M-H]-	297.143084	171.9
[M+NH4]+	316.184183	184.6
[M+K]+	337.113518	169.3
[M+H-H2O]+	281.147620	159.2
[M+HCOO]-	343.148561	182.4
[M+CH3COO]-	357.164211	178.2
[M+Na-2H]-	319.125026	172.3
[M]+	298.14981142	170.8
[M]-	298.15090858	170.8

Literature stripe

literature stripe

Patent stripe

patents stripe