CID 244537

2-(2-oxoindolin-3-ylidene)malononitrile

Structural Information

Molecular Formula
C11H5N3O
SMILES
C1=CC=C2C(=C1)C(=C(C#N)C#N)C(=O)N2
InChI
InChI=1S/C11H5N3O/c12-5-7(6-13)10-8-3-1-2-4-9(8)14-11(10)15/h1-4H,(H,14,15)
InChIKey
IXRCJYBQPZJHRZ-UHFFFAOYSA-N
Compound name
2-(2-oxo-1H-indol-3-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

29
Patents

195.04326 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05054 159.3
[M+Na]+ 218.03248 170.1
[M-H]- 194.03598 161.0
[M+NH4]+ 213.07708 172.3
[M+K]+ 234.00642 163.2
[M+H-H2O]+ 178.04052 143.6
[M+HCOO]- 240.04146 169.3
[M+CH3COO]- 254.05711 166.3
[M+Na-2H]- 216.01793 159.9
[M]+ 195.04271 149.1
[M]- 195.04381 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe