CID 690109

487-16-1

Structural Information

Molecular Formula
C9H8N4OS
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)N
InChI
InChI=1S/C9H8N4OS/c10-9(15)13-12-7-5-3-1-2-4-6(5)11-8(7)14/h1-4,11,14H,(H2,10,15)
InChIKey
PEYNLAQGUNUQLY-UHFFFAOYSA-N
Compound name
(2-hydroxy-1H-indol-3-yl)iminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

58
References

237
Patents

220.04189 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04917 144.5
[M+Na]+ 243.03111 154.2
[M+NH4]+ 238.07571 152.2
[M+K]+ 259.00505 149.0
[M-H]- 219.03461 147.0
[M+Na-2H]- 241.01656 149.7
[M]+ 220.04134 146.6
[M]- 220.04244 146.6
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