CID 62875

Norchlorpromazine

Structural Information

Molecular Formula

C₁₆H₁₇ClN₂S

SMILES

CNCCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C16H17ClN2S/c1-18-9-4-10-19-13-5-2-3-6-15(13)20-16-8-7-12(17)11-14(16)19/h2-3,5-8,11,18H,4,9-10H2,1H3

InChIKey

YHFXGBOUSIKGMZ-UHFFFAOYSA-N

Compound name

3-(2-chlorophenothiazin-10-yl)-N-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 57
Patents: 304.0801 Da
Monoisotopic Mass: 4.7
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]+	305.08738	166.3
[M+Na]+	327.06932	181.9
[M+NH4]+	322.11392	177.2
[M+K]+	343.04326	169.5
[M-H]-	303.07282	171.4
[M+Na-2H]-	325.05477	173.5
[M]+	304.07955	171.0
[M]-	304.08065	171.0

Literature stripe

literature stripe

Patent stripe

patents stripe