CID 3042388

Brn 0556245

Structural Information

Molecular Formula

C₁₅H₁₆N₄S

SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3NC4=CSC=C42

InChI

InChI=1S/C15H16N4S/c1-2-4-13-12(3-1)17-14-10-20-9-11(14)15(18-13)19-7-5-16-6-8-19/h1-4,9-10,16-17H,5-8H2

InChIKey

RPOZRSGRTCYDHA-UHFFFAOYSA-N

Compound name

4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 284.10956 Da
Monoisotopic Mass: 1.7
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]+	285.11684	164.8
[M+Na]+	307.09878	175.8
[M+NH4]+	302.14338	172.6
[M+K]+	323.07272	169.6
[M-H]-	283.10228	167.1
[M+Na-2H]-	305.08423	169.8
[M]+	284.10901	167.4
[M]-	284.11011	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe