CID 135746673

Brn 1044595

Structural Information

Molecular Formula
C20H25FN4OS
SMILES
CCC1=CC2=C(S1)NC3=C(C=C(C=C3)F)N=C2N4CCN(CC4)CCCO
InChI
InChI=1S/C20H25FN4OS/c1-2-15-13-16-19(25-9-7-24(8-10-25)6-3-11-26)22-18-12-14(21)4-5-17(18)23-20(16)27-15/h4-5,12-13,23,26H,2-3,6-11H2,1H3
InChIKey
GDKWMLFILUCMEI-UHFFFAOYSA-N
Compound name
3-[4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.1733 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18058 190.9
[M+Na]+ 411.16252 200.4
[M+NH4]+ 406.20712 196.6
[M+K]+ 427.13646 194.4
[M-H]- 387.16602 191.3
[M+Na-2H]- 409.14797 193.0
[M]+ 388.17275 192.6
[M]- 388.17385 192.6
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.