CID 16788899

1159942-71-8

Structural Information

Molecular Formula
C7H8N4S
SMILES
CC1=CSC(=N1)C2=C(NN=C2)N
InChI
InChI=1S/C7H8N4S/c1-4-3-12-7(10-4)5-2-9-11-6(5)8/h2-3H,1H3,(H3,8,9,11)
InChIKey
NKIPKFWIXYDXIL-UHFFFAOYSA-N
Compound name
4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

180.04697 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05425 134.1
[M+Na]+ 203.03619 146.3
[M-H]- 179.03969 137.3
[M+NH4]+ 198.08079 153.8
[M+K]+ 219.01013 142.2
[M+H-H2O]+ 163.04423 127.2
[M+HCOO]- 225.04517 154.0
[M+CH3COO]- 239.06082 148.1
[M+Na-2H]- 201.02164 135.7
[M]+ 180.04642 135.2
[M]- 180.04752 135.2
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

patents stripe