CID 135704094

Brn 5617113

Structural Information

Molecular Formula
C19H24N4S
SMILES
CCC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)CC
InChI
InChI=1S/C19H24N4S/c1-3-14-13-15-18(23-11-9-22(4-2)10-12-23)20-16-7-5-6-8-17(16)21-19(15)24-14/h5-8,13,21H,3-4,9-12H2,1-2H3
InChIKey
BRQATYXTWJXGBJ-UHFFFAOYSA-N
Compound name
2-ethyl-4-(4-ethylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.17218 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17946 183.1
[M+Na]+ 363.16140 194.5
[M+NH4]+ 358.20600 190.6
[M+K]+ 379.13534 187.4
[M-H]- 339.16490 185.9
[M+Na-2H]- 361.14685 187.1
[M]+ 340.17163 186.0
[M]- 340.17273 186.0
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.