CID 135512881

3-aminomethylene-5-nitrooxindole

Structural Information

Molecular Formula
C9H7N3O3
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=C(N2)O)C=N
InChI
InChI=1S/C9H7N3O3/c10-4-7-6-3-5(12(14)15)1-2-8(6)11-9(7)13/h1-4,10-11,13H
InChIKey
BQANONZRYGWKDF-UHFFFAOYSA-N
Compound name
3-methanimidoyl-5-nitro-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05602 138.3
[M+Na]+ 228.03796 150.6
[M+NH4]+ 223.08256 145.4
[M+K]+ 244.01190 150.0
[M-H]- 204.04146 140.3
[M+Na-2H]- 226.02341 143.1
[M]+ 205.04819 140.2
[M]- 205.04929 140.2
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

No patent data available for this compound.