CID 788107

10-(2-methyl-allyl)-10h-phenothiazine

Structural Information

Molecular Formula

C₁₆H₁₅NS

SMILES

CC(=C)CN1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C16H15NS/c1-12(2)11-17-13-7-3-5-9-15(13)18-16-10-6-4-8-14(16)17/h3-10H,1,11H2,2H3

InChIKey

VDZPUHLYWJVGPH-UHFFFAOYSA-N

Compound name

10-(2-methylprop-2-enyl)phenothiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 253.09251 Da
Monoisotopic Mass: 5.4
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]+	254.09979	155.2
[M+Na]+	276.08173	170.6
[M+NH4]+	271.12633	166.0
[M+K]+	292.05567	159.3
[M-H]-	252.08523	159.6
[M+Na-2H]-	274.06718	162.5
[M]+	253.09196	159.4
[M]-	253.09306	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe