CID 62870

Perimetazine

Structural Information

Molecular Formula

C₂₂H₂₈N₂O₂S

SMILES

CC(CN1CCC(CC1)O)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)OC

InChI

InChI=1S/C22H28N2O2S/c1-16(14-23-11-9-17(25)10-12-23)15-24-19-5-3-4-6-21(19)27-22-8-7-18(26-2)13-20(22)24/h3-8,13,16-17,25H,9-12,14-15H2,1-2H3

InChIKey

WYRWAVVTDKZRIJ-UHFFFAOYSA-N

Compound name

1-[3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 328
Patents: 384.18716 Da
Monoisotopic Mass: 4.5
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]+	385.194436	190.4
[M+Na]+	407.176378	194.7
[M-H]-	383.179884	192.9
[M+NH4]+	402.220983	200.9
[M+K]+	423.150318	188.6
[M+H-H2O]+	367.184420	180.7
[M+HCOO]-	429.185361	196.0
[M+CH3COO]-	443.201011	197.2
[M+Na-2H]-	405.161826	190.4
[M]+	384.18661142	189.3
[M]-	384.18770858	189.3

Literature stripe

literature stripe

Patent stripe

patents stripe