CID 4917

Prochlorperazine

Structural Information

Molecular Formula

C₂₀H₂₄ClN₃S

SMILES

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3

InChIKey

WIKYUJGCLQQFNW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1425
References: 38806
Patents: 373.13794 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]+	374.14522	186.2
[M+Na]+	396.12716	193.4
[M-H]-	372.13066	188.7
[M+NH4]+	391.17176	197.6
[M+K]+	412.10110	185.2
[M+H-H2O]+	356.13520	176.0
[M+HCOO]-	418.13614	188.8
[M+CH3COO]-	432.15179	193.8
[M+Na-2H]-	394.11261	187.3
[M]+	373.13739	186.3
[M]-	373.13849	186.3

Literature stripe

literature stripe

Patent stripe

patents stripe