CID 208838

Dimelazine

Structural Information

Molecular Formula

C₁₉H₂₂N₂S

SMILES

CC1(CCN(C1)C)CN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C19H22N2S/c1-19(11-12-20(2)13-19)14-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-10H,11-14H2,1-2H3

InChIKey

VRKHTAYPELFGPP-UHFFFAOYSA-N

Compound name

10-[(1,3-dimethylpyrrolidin-3-yl)methyl]phenothiazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 71
Patents: 310.15036 Da
Monoisotopic Mass: 4.6
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]+	311.157636	173.0
[M+Na]+	333.139578	181.7
[M-H]-	309.143084	178.3
[M+NH4]+	328.184183	191.7
[M+K]+	349.113518	175.4
[M+H-H2O]+	293.147620	164.5
[M+HCOO]-	355.148561	184.5
[M+CH3COO]-	369.164211	183.5
[M+Na-2H]-	331.125026	174.8
[M]+	310.14981142	173.0
[M]-	310.15090858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe