CID 62920978

5-(1-methyl-1h-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C6H7N5S
SMILES
CN1C(=CC=N1)C2=NN=C(S2)N
InChI
InChI=1S/C6H7N5S/c1-11-4(2-3-8-11)5-9-10-6(7)12-5/h2-3H,1H3,(H2,7,10)
InChIKey
QADZIRWWWAZFSC-UHFFFAOYSA-N
Compound name
5-(2-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.04222 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04950 133.5
[M+Na]+ 204.03144 146.6
[M-H]- 180.03494 136.9
[M+NH4]+ 199.07604 152.5
[M+K]+ 220.00538 143.5
[M+H-H2O]+ 164.03948 125.8
[M+HCOO]- 226.04042 153.9
[M+CH3COO]- 240.05607 147.9
[M+Na-2H]- 202.01689 135.7
[M]+ 181.04167 136.5
[M]- 181.04277 136.5
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.