CID 3057695

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

Structural Information

Molecular Formula
C17H20N4S
SMILES
CC1=C2C(=CS1)C(=NC3=CC=CC=C3N2)N4CCN(CC4)C
InChI
InChI=1S/C17H20N4S/c1-12-16-13(11-22-12)17(21-9-7-20(2)8-10-21)19-15-6-4-3-5-14(15)18-16/h3-6,11,18H,7-10H2,1-2H3
InChIKey
KVWMVVRZVRDPJL-UHFFFAOYSA-N
Compound name
1-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

3
Patents

312.14087 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.148146 175.5
[M+Na]+ 335.130088 183.7
[M-H]- 311.133594 178.8
[M+NH4]+ 330.174693 188.3
[M+K]+ 351.104028 180.3
[M+H-H2O]+ 295.138130 166.1
[M+HCOO]- 357.139071 183.6
[M+CH3COO]- 371.154721 184.2
[M+Na-2H]- 333.115536 175.2
[M]+ 312.14032142 171.2
[M]- 312.14141858 171.2
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