CID 81122439

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

Structural Information

Molecular Formula
C9H11N3OS
SMILES
CN1C(=CC(=N1)C2=CC(=CS2)OC)N
InChI
InChI=1S/C9H11N3OS/c1-12-9(10)4-7(11-12)8-3-6(13-2)5-14-8/h3-5H,10H2,1-2H3
InChIKey
BFIQIVJASLVJQE-UHFFFAOYSA-N
Compound name
5-(4-methoxythiophen-2-yl)-2-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06229 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06957 142.3
[M+Na]+ 232.05151 154.6
[M-H]- 208.05501 148.3
[M+NH4]+ 227.09611 163.2
[M+K]+ 248.02545 151.5
[M+H-H2O]+ 192.05955 135.8
[M+HCOO]- 254.06049 164.5
[M+CH3COO]- 268.07614 157.0
[M+Na-2H]- 230.03696 143.0
[M]+ 209.06174 147.2
[M]- 209.06284 147.2
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

No patent data available for this compound.