CID 5747175

85123-67-7

Structural Information

Molecular Formula
C14H13N3O2
SMILES
C1CC(=O)NC2=C1C=C(C=C2)C3=NNC(=O)C4C3C4
InChI
InChI=1S/C14H13N3O2/c18-12-4-2-7-5-8(1-3-11(7)15-12)13-9-6-10(9)14(19)17-16-13/h1,3,5,9-10H,2,4,6H2,(H,15,18)(H,17,19)
InChIKey
LYGJKDQCOGHYOE-UHFFFAOYSA-N
Compound name
6-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

255.10077 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 168.3
[M+Na]+ 278.08999 178.5
[M-H]- 254.09349 170.2
[M+NH4]+ 273.13459 177.1
[M+K]+ 294.06393 170.3
[M+H-H2O]+ 238.09803 159.4
[M+HCOO]- 300.09897 180.5
[M+CH3COO]- 314.11462 177.1
[M+Na-2H]- 276.07544 172.4
[M]+ 255.10022 165.1
[M]- 255.10132 165.1
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