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]+ 357.174356 186.5
[M+Na]+ 379.156298 193.1
[M-H]- 355.159804 188.2
[M+NH4]+ 374.200903 196.8
[M+K]+ 395.130238 189.4
[M+H-H2O]+ 339.164340 177.0
[M+HCOO]- 401.165281 192.7
[M+CH3COO]- 415.180931 193.6
[M+Na-2H]- 377.141746 185.2
[M]+ 356.16653142 182.4
[M]- 356.16762858 182.4
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.