CID 135704102

Brn 5621967

Structural Information

Molecular Formula
C17H18FN3OS
SMILES
CCC1=CC2=C(S1)NC3=C(C=C(C=C3)F)N=C2N4CCOCC4
InChI
InChI=1S/C17H18FN3OS/c1-2-12-10-13-16(21-5-7-22-8-6-21)19-15-9-11(18)3-4-14(15)20-17(13)23-12/h3-4,9-10,20H,2,5-8H2,1H3
InChIKey
FIGPEMGECRRCGO-UHFFFAOYSA-N
Compound name
4-(2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.11545 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12273 176.9
[M+Na]+ 354.10467 187.7
[M+NH4]+ 349.14927 184.1
[M+K]+ 370.07861 181.7
[M-H]- 330.10817 179.7
[M+Na-2H]- 352.09012 180.1
[M]+ 331.11490 179.7
[M]- 331.11600 179.7
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.