CID 135704086

Brn 5634231

Structural Information

Molecular Formula
C18H19FN4OS
SMILES
CC(=O)C1=CC2=C(S1)NC3=C(C=C(C=C3)F)N=C2N4CCN(CC4)C
InChI
InChI=1S/C18H19FN4OS/c1-11(24)16-10-13-17(23-7-5-22(2)6-8-23)20-15-9-12(19)3-4-14(15)21-18(13)25-16/h3-4,9-10,21H,5-8H2,1-2H3
InChIKey
OUFWAJZCECPQGY-UHFFFAOYSA-N
Compound name
1-[7-fluoro-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.12637 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13365 182.0
[M+Na]+ 381.11559 192.0
[M+NH4]+ 376.16019 188.0
[M+K]+ 397.08953 186.8
[M-H]- 357.11909 182.6
[M+Na-2H]- 379.10104 184.7
[M]+ 358.12582 183.8
[M]- 358.12692 183.8
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.