CID 18847

Methopromazine

Structural Information

Molecular Formula

C₁₈H₂₂N₂OS

SMILES

CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC

InChI

InChI=1S/C18H22N2OS/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3

InChIKey

BRABPYPSZVCCLR-UHFFFAOYSA-N

Compound name

3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 20
References: 1282
Patents: 314.1453 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]+	315.15258	171.6
[M+Na]+	337.13452	178.9
[M-H]-	313.13802	176.3
[M+NH4]+	332.17912	188.1
[M+K]+	353.10846	174.6
[M+H-H2O]+	297.14256	163.3
[M+HCOO]-	359.14350	186.6
[M+CH3COO]-	373.15915	182.4
[M+Na-2H]-	335.11997	175.8
[M]+	314.14475	176.6
[M]-	314.14585	176.6

Literature stripe

literature stripe

Patent stripe

patents stripe