CID 9570739

64058-41-9

Structural Information

Molecular Formula

C₁₉H₂₃N₃OS

SMILES

C/C(=N\O)/C1=C2C(=CC=C1)SC3=CC=CC=C3N2CCCN(C)C

InChI

InChI=1S/C19H23N3OS/c1-14(20-23)15-8-6-11-18-19(15)22(13-7-12-21(2)3)16-9-4-5-10-17(16)24-18/h4-6,8-11,23H,7,12-13H2,1-3H3/b20-14+

InChIKey

VHUSVBNGMNMLAF-XSFVSMFZSA-N

Compound name

(NE)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 341.1562 Da
Monoisotopic Mass: 4.1
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]+	342.163476	178.4
[M+Na]+	364.145418	184.2
[M-H]-	340.148924	182.7
[M+NH4]+	359.190023	193.3
[M+K]+	380.119358	179.7
[M+H-H2O]+	324.153460	169.8
[M+HCOO]-	386.154401	193.1
[M+CH3COO]-	400.170051	221.1
[M+Na-2H]-	362.130866	181.9
[M]+	341.15565142	181.7
[M]-	341.15674858	181.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe