CID 29978685

221176-49-4

Structural Information

Molecular Formula

C₁₂H₁₀N₂OS

SMILES

CC1=CC2=C(S1)NC3=CC=CC=C3NC2=O

InChI

InChI=1S/C12H10N2OS/c1-7-6-8-11(15)13-9-4-2-3-5-10(9)14-12(8)16-7/h2-6,14H,1H3,(H,13,15)

InChIKey

LVTDAJJOMLNXFS-UHFFFAOYSA-N

Compound name

2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 230.05139 Da
Monoisotopic Mass: 2.8
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]+	231.05867	148.1
[M+Na]+	253.04061	158.8
[M+NH4]+	248.08521	156.2
[M+K]+	269.01455	153.6
[M-H]-	229.04411	149.2
[M+Na-2H]-	251.02606	152.0
[M]+	230.05084	150.3
[M]-	230.05194	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe