CID 413281

Phenoxazine, 2-chloro-10-(3-(dimethylamino)propyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₇H₁₉ClN₂O

SMILES

CN(C)CCCN1C2=CC=CC=C2OC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN2O/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3

InChIKey

OQKOYFMUFOLCNX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.1186 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]+	303.125876	170.7
[M+Na]+	325.107818	179.2
[M-H]-	301.111324	176.0
[M+NH4]+	320.152423	186.7
[M+K]+	341.081758	175.1
[M+H-H2O]+	285.115860	162.4
[M+HCOO]-	347.116801	185.5
[M+CH3COO]-	361.132451	182.0
[M+Na-2H]-	323.093266	177.3
[M]+	302.11805142	175.7
[M]-	302.11914858	175.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.