CID 5747183

2-(1,2,3,4-tetrahydroquinolin-2-on-6-yl)-3,4-diazabicyclo(4.2.0)oct-2-en-5-one

Structural Information

Molecular Formula
C15H15N3O2
SMILES
C1C[C@@H]2[C@H]1C(=NNC2=O)C3=CC4=C(C=C3)NC(=O)CC4
InChI
InChI=1S/C15H15N3O2/c19-13-6-2-8-7-9(1-5-12(8)16-13)14-10-3-4-11(10)15(20)18-17-14/h1,5,7,10-11H,2-4,6H2,(H,16,19)(H,18,20)/t10-,11+/m0/s1
InChIKey
KUKPXVLVFQGMCN-WDEREUQCSA-N
Compound name
6-[(1S,6R)-5-oxo-3,4-diazabicyclo[4.2.0]oct-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 161.0
[M+Na]+ 292.10564 167.1
[M-H]- 268.10914 161.6
[M+NH4]+ 287.15024 167.3
[M+K]+ 308.07958 164.0
[M+H-H2O]+ 252.11368 146.4
[M+HCOO]- 314.11462 170.8
[M+CH3COO]- 328.13027 169.3
[M+Na-2H]- 290.09109 164.7
[M]+ 269.11587 162.8
[M]- 269.11697 162.8
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

patents stripe