CID 135480748

(2z)-2-(3-oxo-1,3-dihydro-2h-indol-2-ylidene)hydrazinecarbothioamide

Structural Information

Molecular Formula
C9H8N4OS
SMILES
C1=CC=C2C(=C1)C(=C(N2)/N=N/C(=S)N)O
InChI
InChI=1S/C9H8N4OS/c10-9(15)13-12-8-7(14)5-3-1-2-4-6(5)11-8/h1-4,11,14H,(H2,10,15)/b13-12+
InChIKey
IVIXWQNKLBBLJR-OUKQBFOZSA-N
Compound name
(E)-(3-hydroxy-1H-indol-2-yl)iminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 142.9
[M+Na]+ 243.03111 152.7
[M-H]- 219.03461 146.8
[M+NH4]+ 238.07571 162.6
[M+K]+ 259.00505 148.2
[M+H-H2O]+ 203.03915 136.3
[M+HCOO]- 265.04009 165.0
[M+CH3COO]- 279.05574 191.4
[M+Na-2H]- 241.01656 148.0
[M]+ 220.04134 143.6
[M]- 220.04244 143.6
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

No patent data available for this compound.