CID 164695

Leucomethylene blue

Structural Information

Molecular Formula

C₁₆H₁₉N₃S

SMILES

CN(C)C1=CC2=C(C=C1)NC3=C(S2)C=C(C=C3)N(C)C

InChI

InChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3

InChIKey

QTWZICCBKBYHDM-UHFFFAOYSA-N

Compound name

3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 45
References: 4726
Patents: 285.12997 Da
Monoisotopic Mass: 3.9
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]+	286.13725	163.0
[M+Na]+	308.11919	176.2
[M+NH4]+	303.16379	173.2
[M+K]+	324.09313	166.6
[M-H]-	284.12269	168.4
[M+Na-2H]-	306.10464	169.9
[M]+	285.12942	167.0
[M]-	285.13052	167.0

Literature stripe

literature stripe

Patent stripe

patents stripe