CID 16906

Isatin 3-hydrazone

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)N=N
InChI
InChI=1S/C8H7N3O/c9-11-7-5-3-1-2-4-6(5)10-8(7)12/h1-4,9-10,12H
InChIKey
KWSQYVPIKHBAQV-UHFFFAOYSA-N
Compound name
3-diazenyl-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

46
Patents

161.05891 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 127.5
[M+Na]+ 184.04813 137.7
[M-H]- 160.05163 130.6
[M+NH4]+ 179.09273 149.0
[M+K]+ 200.02207 134.0
[M+H-H2O]+ 144.05617 121.4
[M+HCOO]- 206.05711 154.3
[M+CH3COO]- 220.07276 178.8
[M+Na-2H]- 182.03358 137.1
[M]+ 161.05836 126.8
[M]- 161.05946 126.8
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