CID 3045924

Brn 1016476

Structural Information

Molecular Formula
C15H16N4S
SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3NC4=C2SC=C4
InChI
InChI=1S/C15H16N4S/c1-2-4-12-11(3-1)17-13-5-10-20-14(13)15(18-12)19-8-6-16-7-9-19/h1-5,10,16-17H,6-9H2
InChIKey
CTBOSJODJVJXCR-UHFFFAOYSA-N
Compound name
4-piperazin-1-yl-10H-thieno[3,2-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

284.10956 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe