CID 5747174

2-(indolin-2-on-5-yl)-3,4-diazabicyclo(4.1.0)hept-2-en-5-one

Structural Information

Molecular Formula
C13H11N3O2
SMILES
C1C2C1C(=O)NN=C2C3=CC4=C(C=C3)NC(=O)C4
InChI
InChI=1S/C13H11N3O2/c17-11-4-7-3-6(1-2-10(7)14-11)12-8-5-9(8)13(18)16-15-12/h1-3,8-9H,4-5H2,(H,14,17)(H,16,18)
InChIKey
WKRDMGCTYHMISA-UHFFFAOYSA-N
Compound name
5-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

241.08513 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.092406 162.0
[M+Na]+ 264.074348 173.6
[M-H]- 240.077854 164.7
[M+NH4]+ 259.118953 173.4
[M+K]+ 280.048288 165.4
[M+H-H2O]+ 224.082390 154.4
[M+HCOO]- 286.083331 176.7
[M+CH3COO]- 300.098981 172.2
[M+Na-2H]- 262.059796 164.9
[M]+ 241.08458142 160.7
[M]- 241.08567858 160.7
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