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 183.2
[M+Na]+ 381.11559 191.3
[M-H]- 357.11909 185.5
[M+NH4]+ 376.16019 194.1
[M+K]+ 397.08953 188.2
[M+H-H2O]+ 341.12363 173.2
[M+HCOO]- 403.12457 189.3
[M+CH3COO]- 417.14022 191.0
[M+Na-2H]- 379.10104 180.8
[M]+ 358.12582 178.8
[M]- 358.12692 178.8
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.