CID 3290

Ethopropazine

Structural Information

Molecular Formula

C₁₉H₂₄N₂S

SMILES

CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3

InChIKey

CDOZDBSBBXSXLB-UHFFFAOYSA-N

Compound name

N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 125
References: 18379
Patents: 312.16602 Da
Monoisotopic Mass: 4.8
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]+	313.173296	172.4
[M+Na]+	335.155238	178.2
[M-H]-	311.158744	176.6
[M+NH4]+	330.199843	188.7
[M+K]+	351.129178	173.5
[M+H-H2O]+	295.163280	164.0
[M+HCOO]-	357.164221	185.8
[M+CH3COO]-	371.179871	182.4
[M+Na-2H]-	333.140686	175.6
[M]+	312.16547142	175.4
[M]-	312.16656858	175.4

Literature stripe

literature stripe

Patent stripe

patents stripe