CID 4744

Perazine

Structural Information

Molecular Formula

C₂₀H₂₅N₃S

SMILES

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3

InChIKey

WEYVCQFUGFRXOM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 203
References: 5603
Patents: 339.1769 Da
Monoisotopic Mass: 4.1
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]+	340.18418	179.8
[M+Na]+	362.16612	185.7
[M-H]-	338.16962	182.3
[M+NH4]+	357.21072	191.5
[M+K]+	378.14006	178.4
[M+H-H2O]+	322.17416	169.1
[M+HCOO]-	384.17510	187.1
[M+CH3COO]-	398.19075	187.6
[M+Na-2H]-	360.15157	182.2
[M]+	339.17635	177.5
[M]-	339.17745	177.5

Literature stripe

literature stripe

Patent stripe

patents stripe