CID 5747183

85137-46-8

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

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 161.0
[M+Na]+ 292.105638 167.1
[M-H]- 268.109144 161.6
[M+NH4]+ 287.150243 167.3
[M+K]+ 308.079578 164.0
[M+H-H2O]+ 252.113680 146.4
[M+HCOO]- 314.114621 170.8
[M+CH3COO]- 328.130271 169.3
[M+Na-2H]- 290.091086 164.7
[M]+ 269.11587142 162.8
[M]- 269.11696858 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