CID 667492

Methisazone

Structural Information

Molecular Formula
C10H10N4OS
SMILES
CN1C2=CC=CC=C2C(=C1O)N=NC(=S)N
InChI
InChI=1S/C10H10N4OS/c1-14-7-5-3-2-4-6(7)8(9(14)15)12-13-10(11)16/h2-5,15H,1H3,(H2,11,16)
InChIKey
TTZUCVNWOZLIGL-UHFFFAOYSA-N
Compound name
(2-hydroxy-1-methylindol-3-yl)iminothiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

102
References

6919
Patents

234.05753 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.064806 148.2
[M+Na]+ 257.046748 158.8
[M-H]- 233.050254 153.8
[M+NH4]+ 252.091353 168.4
[M+K]+ 273.020688 155.0
[M+H-H2O]+ 217.054790 141.4
[M+HCOO]- 279.055731 171.4
[M+CH3COO]- 293.071381 198.0
[M+Na-2H]- 255.032196 152.4
[M]+ 234.05698142 151.5
[M]- 234.05807858 151.5
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