CID 3039352

2h-thieno(2,3-e)(1,4)diazepin-2-one, 1,3-dihydro-7-ethyl-5-(o-fluorophenyl)-1-methyl-, hydrochloride

Structural Information

Molecular Formula
C16H15FN2OS
SMILES
CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3F)C
InChI
InChI=1S/C16H15FN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3
InChIKey
ZQQRSUHXMKFRJH-UHFFFAOYSA-N
Compound name
7-ethyl-5-(2-fluorophenyl)-1-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0889 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09618 168.3
[M+Na]+ 325.07812 179.9
[M+NH4]+ 320.12272 175.6
[M+K]+ 341.05206 173.6
[M-H]- 301.08162 170.4
[M+Na-2H]- 323.06357 173.4
[M]+ 302.08835 171.0
[M]- 302.08945 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.