CID 135704088

Brn 5640364

Structural Information

Molecular Formula
C20H25FN4S
SMILES
CC(C)(C)C1=CC2=C(S1)NC3=C(C=C(C=C3)F)N=C2N4CCN(CC4)C
InChI
InChI=1S/C20H25FN4S/c1-20(2,3)17-12-14-18(25-9-7-24(4)8-10-25)22-16-11-13(21)5-6-15(16)23-19(14)26-17/h5-6,11-12,23H,7-10H2,1-4H3
InChIKey
RVQPMNRSVPOYMC-UHFFFAOYSA-N
Compound name
2-tert-butyl-7-fluoro-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.1784 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.18568 191.8
[M+Na]+ 395.16762 199.7
[M-H]- 371.17112 193.9
[M+NH4]+ 390.21222 202.6
[M+K]+ 411.14156 196.1
[M+H-H2O]+ 355.17566 181.9
[M+HCOO]- 417.17660 196.4
[M+CH3COO]- 431.19225 199.1
[M+Na-2H]- 393.15307 189.9
[M]+ 372.17785 187.3
[M]- 372.17895 187.3
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.