CID 3080665

3-hdmmp

Structural Information

Molecular Formula

C₁₆H₁₈N₂OS

SMILES

CNCCCN1C2=C(C=C(C=C2)O)SC3=CC=CC=C31

InChI

InChI=1S/C16H18N2OS/c1-17-9-4-10-18-13-5-2-3-6-15(13)20-16-11-12(19)7-8-14(16)18/h2-3,5-8,11,17,19H,4,9-10H2,1H3

InChIKey

KPNZJQVYAKBDDT-UHFFFAOYSA-N

Compound name

10-[3-(methylamino)propyl]phenothiazin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 286.11398 Da
Monoisotopic Mass: 3.7
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]+	287.121256	161.2
[M+Na]+	309.103198	169.0
[M-H]-	285.106704	163.5
[M+NH4]+	304.147803	177.6
[M+K]+	325.077138	162.8
[M+H-H2O]+	269.111240	154.0
[M+HCOO]-	331.112181	175.0
[M+CH3COO]-	345.127831	171.8
[M+Na-2H]-	307.088646	166.9
[M]+	286.11343142	162.7
[M]-	286.11452858	162.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.