CID 3074543

3-aminomethylen-5-aminooxindole

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1=CC2=C(C=C1N)C(=C(N2)O)C=N
InChI
InChI=1S/C9H9N3O/c10-4-7-6-3-5(11)1-2-8(6)12-9(7)13/h1-4,10,12-13H,11H2
InChIKey
CSLZHLXPJAEHRI-UHFFFAOYSA-N
Compound name
5-amino-3-methanimidoyl-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 133.3
[M+Na]+ 198.063768 143.7
[M-H]- 174.067274 134.9
[M+NH4]+ 193.108373 153.6
[M+K]+ 214.037708 138.5
[M+H-H2O]+ 158.071810 127.7
[M+HCOO]- 220.072751 157.6
[M+CH3COO]- 234.088401 180.1
[M+Na-2H]- 196.049216 140.1
[M]+ 175.07400142 130.7
[M]- 175.07509858 130.7
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

No patent data available for this compound.