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

literature stripe

Patent stripe

patents stripe