CID 3049785

Brn 1169130

Structural Information

Molecular Formula

C₁₈H₂₀N₂O₄S

SMILES

COC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)N(CCO)CCO

InChI

InChI=1S/C18H20N2O4S/c1-24-13-6-7-17-15(12-13)20(14-4-2-3-5-16(14)25-17)18(23)19(8-10-21)9-11-22/h2-7,12,21-22H,8-11H2,1H3

InChIKey

WLESVNDWWZSANB-UHFFFAOYSA-N

Compound name

N,N-bis(2-hydroxyethyl)-2-methoxyphenothiazine-10-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 360.11438 Da
Monoisotopic Mass: 1.6
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]+	361.121656	179.6
[M+Na]+	383.103598	185.2
[M-H]-	359.107104	181.5
[M+NH4]+	378.148203	192.4
[M+K]+	399.077538	181.4
[M+H-H2O]+	343.111640	171.8
[M+HCOO]-	405.112581	191.3
[M+CH3COO]-	419.128231	214.2
[M+Na-2H]-	381.089046	182.9
[M]+	360.11383142	184.0
[M]-	360.11492858	184.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.