CID 3052754

Brn 0577196

Structural Information

Molecular Formula

C₁₉H₂₃ClN₄S

SMILES

CN1CCN(CC1)NCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C19H23ClN4S/c1-22-10-12-23(13-11-22)21-8-9-24-16-4-2-3-5-18(16)25-19-7-6-15(20)14-17(19)24/h2-7,14,21H,8-13H2,1H3

InChIKey

FCJWPLVHJGKUHJ-UHFFFAOYSA-N

Compound name

N-[2-(2-chlorophenothiazin-10-yl)ethyl]-4-methylpiperazin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 374.1332 Da
Monoisotopic Mass: 4.3
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]+	375.14048	184.0
[M+Na]+	397.12242	190.8
[M-H]-	373.12592	186.6
[M+NH4]+	392.16702	195.1
[M+K]+	413.09636	182.8
[M+H-H2O]+	357.13046	174.1
[M+HCOO]-	419.13140	188.0
[M+CH3COO]-	433.14705	191.6
[M+Na-2H]-	395.10787	186.7
[M]+	374.13265	183.4
[M]-	374.13375	183.4

Literature stripe

literature stripe

Patent stripe

patents stripe