CID 40087

Thidiazuron

Structural Information

Molecular Formula
C9H8N4OS
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CN=NS2
InChI
InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
InChIKey
HFCYZXMHUIHAQI-UHFFFAOYSA-N
Compound name
1-phenyl-3-(thiadiazol-5-yl)urea
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

212
References

21055
Patents

220.04189 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04917 143.7
[M+Na]+ 243.03111 151.6
[M-H]- 219.03461 148.5
[M+NH4]+ 238.07571 161.0
[M+K]+ 259.00505 148.1
[M+H-H2O]+ 203.03915 135.5
[M+HCOO]- 265.04009 164.5
[M+CH3COO]- 279.05574 156.2
[M+Na-2H]- 241.01656 148.9
[M]+ 220.04134 143.8
[M]- 220.04244 143.8
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.