CID 135484790

Chembl2009595

Structural Information

Molecular Formula
C10H8FN5O2
SMILES
C1=CC2=C(C=C1F)C(=C(N2)O)C=N/N=C(\N)/N=O
InChI
InChI=1S/C10H8FN5O2/c11-5-1-2-8-6(3-5)7(9(17)14-8)4-13-15-10(12)16-18/h1-4,14,17H,(H2,12,15)
InChIKey
RMWKPPZUQCLMFT-UHFFFAOYSA-N
Compound name
2-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]-1-oxoguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.06621 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07349 147.4
[M+Na]+ 272.05543 157.0
[M-H]- 248.05893 151.7
[M+NH4]+ 267.10003 165.8
[M+K]+ 288.02937 153.9
[M+H-H2O]+ 232.06347 138.8
[M+HCOO]- 294.06441 176.4
[M+CH3COO]- 308.08006 203.1
[M+Na-2H]- 270.04088 154.5
[M]+ 249.06566 147.2
[M]- 249.06676 147.2
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.