CID 135704093

Brn 5642780

Structural Information

Molecular Formula
C19H24N4O2S2
SMILES
CCC1=CC2=C(S1)NC3=C(C=C(C=C3)S(=O)(=O)C)N=C2N4CCN(CC4)C
InChI
InChI=1S/C19H24N4O2S2/c1-4-13-11-15-18(23-9-7-22(2)8-10-23)20-17-12-14(27(3,24)25)5-6-16(17)21-19(15)26-13/h5-6,11-12,21H,4,7-10H2,1-3H3
InChIKey
SXNCXMONSGRVEP-UHFFFAOYSA-N
Compound name
2-ethyl-4-(4-methylpiperazin-1-yl)-7-methylsulfonyl-10H-thieno[2,3-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.13406 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.14134 198.2
[M+Na]+ 427.12328 208.0
[M+NH4]+ 422.16788 204.0
[M+K]+ 443.09722 201.0
[M-H]- 403.12678 199.3
[M+Na-2H]- 425.10873 200.3
[M]+ 404.13351 200.8
[M]- 404.13461 200.8
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.