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]+ 313.148146 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

No patent data available for this compound.