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

6
Patents

255.10077 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.108046 168.3
[M+Na]+ 278.089988 178.5
[M-H]- 254.093494 170.2
[M+NH4]+ 273.134593 177.1
[M+K]+ 294.063928 170.3
[M+H-H2O]+ 238.098030 159.4
[M+HCOO]- 300.098971 180.5
[M+CH3COO]- 314.114621 177.1
[M+Na-2H]- 276.075436 172.4
[M]+ 255.10022142 165.1
[M]- 255.10131858 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