CID 135720344

41191-07-5

Structural Information

Molecular Formula
C15H13FN2OS
SMILES
CCC1=CC2=C(S1)NC(=O)CN=C2C3=CC=CC=C3F
InChI
InChI=1S/C15H13FN2OS/c1-2-9-7-11-14(10-5-3-4-6-12(10)16)17-8-13(19)18-15(11)20-9/h3-7H,2,8H2,1H3,(H,18,19)
InChIKey
OIUXDRAIBZLJAE-UHFFFAOYSA-N
Compound name
7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.07327 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08055 163.0
[M+Na]+ 311.06249 171.8
[M-H]- 287.06599 167.4
[M+NH4]+ 306.10709 178.2
[M+K]+ 327.03643 169.7
[M+H-H2O]+ 271.07053 155.3
[M+HCOO]- 333.07147 176.2
[M+CH3COO]- 347.08712 173.7
[M+Na-2H]- 309.04794 162.6
[M]+ 288.07272 160.4
[M]- 288.07382 160.4
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.