CID 5270685

Nsc726867

Structural Information

Molecular Formula
C8H14N4S
SMILES
CCNC(=S)NC1=C(NN=C1C)C
InChI
InChI=1S/C8H14N4S/c1-4-9-8(13)10-7-5(2)11-12-6(7)3/h4H2,1-3H3,(H,11,12)(H2,9,10,13)
InChIKey
BHNJYXHSCLPFOK-UHFFFAOYSA-N
Compound name
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.09392 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10120 144.2
[M+Na]+ 221.08314 152.2
[M-H]- 197.08664 144.5
[M+NH4]+ 216.12774 162.5
[M+K]+ 237.05708 148.4
[M+H-H2O]+ 181.09118 137.3
[M+HCOO]- 243.09212 161.5
[M+CH3COO]- 257.10777 185.7
[M+Na-2H]- 219.06859 144.9
[M]+ 198.09337 143.6
[M]- 198.09447 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.