CID 135771945

Chembl231628

Structural Information

Molecular Formula
C9H7FN4O2S
SMILES
C1=CC2=C(C=C1F)C(=C(N2)O)NNC(=S)N=O
InChI
InChI=1S/C9H7FN4O2S/c10-4-1-2-6-5(3-4)7(8(15)11-6)12-13-9(17)14-16/h1-3,11-12,15H,(H,13,17)
InChIKey
ZFACMZSCEBCQIZ-UHFFFAOYSA-N
Compound name
1-[(5-fluoro-2-hydroxy-1H-indol-3-yl)amino]-3-oxothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.02737 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03465 147.4
[M+Na]+ 277.01659 157.3
[M-H]- 253.02009 149.4
[M+NH4]+ 272.06119 165.4
[M+K]+ 292.99053 152.5
[M+H-H2O]+ 237.02463 140.2
[M+HCOO]- 299.02557 167.7
[M+CH3COO]- 313.04122 195.8
[M+Na-2H]- 275.00204 152.2
[M]+ 254.02682 148.1
[M]- 254.02792 148.1
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

No patent data available for this compound.