CID 65612

Oxyridazine

Structural Information

Molecular Formula

C₂₁H₂₆N₂OS

SMILES

CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)OC

InChI

InChI=1S/C21H26N2OS/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3

InChIKey

QOJDAWZHQLNKDR-UHFFFAOYSA-N

Compound name

2-methoxy-10-[2-(1-methylpiperidin-2-yl)ethyl]phenothiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 44
Patents: 354.17657 Da
Monoisotopic Mass: 5.4
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]+	355.18385	183.7
[M+Na]+	377.16579	189.6
[M-H]-	353.16929	187.8
[M+NH4]+	372.21039	196.3
[M+K]+	393.13973	183.2
[M+H-H2O]+	337.17383	173.7
[M+HCOO]-	399.17477	192.1
[M+CH3COO]-	413.19042	191.9
[M+Na-2H]-	375.15124	185.0
[M]+	354.17602	183.1
[M]-	354.17712	183.1

Literature stripe

literature stripe

Patent stripe

patents stripe