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

3
Patents

241.08513 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09241 162.0
[M+Na]+ 264.07435 173.6
[M-H]- 240.07785 164.7
[M+NH4]+ 259.11895 173.4
[M+K]+ 280.04829 165.4
[M+H-H2O]+ 224.08239 154.4
[M+HCOO]- 286.08333 176.7
[M+CH3COO]- 300.09898 172.2
[M+Na-2H]- 262.05980 164.9
[M]+ 241.08458 160.7
[M]- 241.08568 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