CID 135746674

Brn 1038407

Structural Information

Molecular Formula
C19H24N4OS
SMILES
CCC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)CCO
InChI
InChI=1S/C19H24N4OS/c1-2-14-13-15-18(23-9-7-22(8-10-23)11-12-24)20-16-5-3-4-6-17(16)21-19(15)25-14/h3-6,13,21,24H,2,7-12H2,1H3
InChIKey
BJTTUIAZZCVYIC-UHFFFAOYSA-N
Compound name
2-[4-(2-ethyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.16708 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17436 185.9
[M+Na]+ 379.15630 196.4
[M+NH4]+ 374.20090 192.6
[M+K]+ 395.13024 190.1
[M-H]- 355.15980 187.8
[M+Na-2H]- 377.14175 189.1
[M]+ 356.16653 188.3
[M]- 356.16763 188.3
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.