CID 652628

37711-29-8

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂S

SMILES

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2

InChI

InChI=1S/C15H14N2O2S/c1-2-19-15(18)16-10-7-8-14-12(9-10)17-11-5-3-4-6-13(11)20-14/h3-9,17H,2H2,1H3,(H,16,18)

InChIKey

TZCBPVYEETWLEX-UHFFFAOYSA-N

Compound name

ethyl N-(10H-phenothiazin-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 3
Patents: 286.0776 Da
Monoisotopic Mass: 3.6
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]+	287.08488	161.1
[M+Na]+	309.06682	173.8
[M+NH4]+	304.11142	170.0
[M+K]+	325.04076	164.6
[M-H]-	285.07032	164.2
[M+Na-2H]-	307.05227	166.9
[M]+	286.07705	164.2
[M]-	286.07815	164.2

Literature stripe

literature stripe

Patent stripe

patents stripe