CID 5747176

5-(2,3,4,5-tetrahydro-2-oxo-1h-1-benzazepin-7-yl)-3,4-diazabicyclo(4.1.0)hept-4-en-2-one

Structural Information

Molecular Formula
C15H15N3O2
SMILES
C1CC2=C(C=CC(=C2)C3=NNC(=O)C4C3C4)NC(=O)C1
InChI
InChI=1S/C15H15N3O2/c19-13-3-1-2-8-6-9(4-5-12(8)16-13)14-10-7-11(10)15(20)18-17-14/h4-6,10-11H,1-3,7H2,(H,16,19)(H,18,20)
InChIKey
CBWSTCQWNAULFK-UHFFFAOYSA-N
Compound name
7-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

269.11642 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12370 163.5
[M+Na]+ 292.10564 175.7
[M+NH4]+ 287.15024 170.5
[M+K]+ 308.07958 171.8
[M-H]- 268.10914 171.2
[M+Na-2H]- 290.09109 169.5
[M]+ 269.11587 168.3
[M]- 269.11697 168.3
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

patents stripe