CID 3057694

4h-thieno(3,4-b)(1,5)benzodiazepine, 1-methyl-10-(4-methyl-1-piperazinyl)-

Structural Information

Molecular Formula
C17H20N4S
SMILES
CC1=C2C(=CS1)NC3=CC=CC=C3N=C2N4CCN(CC4)C
InChI
InChI=1S/C17H20N4S/c1-12-16-15(11-22-12)18-13-5-3-4-6-14(13)19-17(16)21-9-7-20(2)8-10-21/h3-6,11,18H,7-10H2,1-2H3
InChIKey
OCOCCZDDGBHSET-UHFFFAOYSA-N
Compound name
3-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[3,4-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.14087 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14815 174.8
[M+Na]+ 335.13009 186.6
[M+NH4]+ 330.17469 182.7
[M+K]+ 351.10403 179.9
[M-H]- 311.13359 177.6
[M+Na-2H]- 333.11554 179.3
[M]+ 312.14032 177.8
[M]- 312.14142 177.8
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

No patent data available for this compound.