CID 135542321

Brn 1000837

Structural Information

Molecular Formula
C15H14N2OS
SMILES
CCC1=CC2=C(S1)NC(=O)CN=C2C3=CC=CC=C3
InChI
InChI=1S/C15H14N2OS/c1-2-11-8-12-14(10-6-4-3-5-7-10)16-9-13(18)17-15(12)19-11/h3-8H,2,9H2,1H3,(H,17,18)
InChIKey
DYYPBVQCJWDDLT-UHFFFAOYSA-N
Compound name
7-ethyl-5-phenyl-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

270.08267 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08995 161.8
[M+Na]+ 293.07189 173.5
[M+NH4]+ 288.11649 169.7
[M+K]+ 309.04583 167.2
[M-H]- 269.07539 164.8
[M+Na-2H]- 291.05734 167.8
[M]+ 270.08212 164.8
[M]- 270.08322 164.8
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.