PubChemLite - Thiethylperazine (C22H29N3S2)

Structural Information

Molecular Formula

SMILES

CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C

InChI

InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3

InChIKey

XCTYLCDETUVOIP-UHFFFAOYSA-N

Compound name

2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine

Related CIDs

2D Structure

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]+	400.18758	189.1
[M+Na]+	422.16952	195.2
[M-H]-	398.17302	190.9
[M+NH4]+	417.21412	199.1
[M+K]+	438.14346	186.8
[M+H-H2O]+	382.17756	179.6
[M+HCOO]-	444.17850	190.9
[M+CH3COO]-	458.19415	195.8
[M+Na-2H]-	420.15497	189.1
[M]+	399.17975	189.1
[M]-	399.18085	189.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

400.18758

189.1

[M+Na]+

422.16952

195.2

[M-H]-

398.17302

190.9

[M+NH4]+

417.21412

199.1

[M+K]+

438.14346

186.8

[M+H-H2O]+

382.17756

179.6

[M+HCOO]-

444.17850

190.9

[M+CH3COO]-

458.19415

195.8

[M+Na-2H]-

420.15497

189.1

[M]+

399.17975

189.1

[M]-

399.18085

189.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Thiethylperazine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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