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

4
Patents

269.11642 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.123696 166.5
[M+Na]+ 292.105638 175.0
[M-H]- 268.109144 169.7
[M+NH4]+ 287.150243 174.4
[M+K]+ 308.079578 171.5
[M+H-H2O]+ 252.113680 157.9
[M+HCOO]- 314.114621 178.5
[M+CH3COO]- 328.130271 175.0
[M+Na-2H]- 290.091086 170.2
[M]+ 269.11587142 161.0
[M]- 269.11696858 161.0
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

patents stripe