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]+ 176.08183 133.3
[M+Na]+ 198.06377 143.7
[M-H]- 174.06727 134.9
[M+NH4]+ 193.10837 153.6
[M+K]+ 214.03771 138.5
[M+H-H2O]+ 158.07181 127.7
[M+HCOO]- 220.07275 157.6
[M+CH3COO]- 234.08840 180.1
[M+Na-2H]- 196.04922 140.1
[M]+ 175.07400 130.7
[M]- 175.07510 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.