CID 3057221

8-chloro-10-(1,2,5-trimethyl-3-pyrrolidinylmethyl)phenothiazine hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₃ClN₂S

SMILES

CC1CC(C(N1C)C)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C20H23ClN2S/c1-13-10-15(14(2)22(13)3)12-23-17-6-4-5-7-19(17)24-20-9-8-16(21)11-18(20)23/h4-9,11,13-15H,10,12H2,1-3H3

InChIKey

SDAYRUQOUORGLQ-UHFFFAOYSA-N

Compound name

2-chloro-10-[(1,2,5-trimethylpyrrolidin-3-yl)methyl]phenothiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 358.12704 Da
Monoisotopic Mass: 6.1
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]+	359.134316	186.0
[M+Na]+	381.116258	196.3
[M-H]-	357.119764	191.7
[M+NH4]+	376.160863	202.3
[M+K]+	397.090198	188.4
[M+H-H2O]+	341.124300	178.4
[M+HCOO]-	403.125241	192.2
[M+CH3COO]-	417.140891	196.0
[M+Na-2H]-	379.101706	183.4
[M]+	358.12649142	189.1
[M]-	358.12758858	189.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.