CID 823528

1-methyl-3-[(2-oxoindol-3-yl)amino]thiourea

Structural Information

Molecular Formula
C10H10N4OS
SMILES
CNC(=S)N=NC1=C(NC2=CC=CC=C21)O
InChI
InChI=1S/C10H10N4OS/c1-11-10(16)14-13-8-6-4-2-3-5-7(6)12-9(8)15/h2-5,12,15H,1H3,(H,11,16)
InChIKey
LFMQSJKXWOAPPJ-UHFFFAOYSA-N
Compound name
1-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

234.05753 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06481 147.4
[M+Na]+ 257.04675 156.9
[M-H]- 233.05025 151.8
[M+NH4]+ 252.09135 167.0
[M+K]+ 273.02069 152.5
[M+H-H2O]+ 217.05479 140.7
[M+HCOO]- 279.05573 169.8
[M+CH3COO]- 293.07138 194.3
[M+Na-2H]- 255.03220 153.1
[M]+ 234.05698 149.4
[M]- 234.05808 149.4
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.