CID 3047255

Brn 1038834

Structural Information

Molecular Formula
C17H17F3N4S
SMILES
CN1CCN(CC1)C2=NC3=C(C=C(C=C3)C(F)(F)F)NC4=CSC=C42
InChI
InChI=1S/C17H17F3N4S/c1-23-4-6-24(7-5-23)16-12-9-25-10-15(12)21-14-8-11(17(18,19)20)2-3-13(14)22-16/h2-3,8-10,21H,4-7H2,1H3
InChIKey
VDXRGSIYNPUVQC-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.1126 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11988 176.0
[M+Na]+ 389.10182 183.7
[M+NH4]+ 384.14642 180.8
[M+K]+ 405.07576 179.3
[M-H]- 365.10532 173.8
[M+Na-2H]- 387.08727 178.5
[M]+ 366.11205 176.6
[M]- 366.11315 176.6
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.