CID 68276

1231958-32-9

Structural Information

Molecular Formula

C₁₅H₁₆N₃S

SMILES

CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2

InChI

InChI=1S/C15H15N3S/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12/h4-9H,1-3H3/p+1

InChIKey

KKGWEPLBCABCDN-UHFFFAOYSA-O

Compound name

dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 98
References: 3721
Patents: 270.1065 Da
Monoisotopic Mass: 2.1
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]+	271.113776	155.6
[M+Na]+	293.095718	164.5
[M-H]-	269.099224	161.5
[M+NH4]+	288.140323	173.5
[M+K]+	309.069658	154.0
[M+H-H2O]+	253.103760	150.5
[M+HCOO]-	315.104701	173.6
[M+CH3COO]-	329.120351	199.1
[M+Na-2H]-	291.081166	165.2
[M]+	270.10595142	156.8
[M]-	270.10704858	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe