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
3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-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]+ 210.069566 142.3
[M+Na]+ 232.051508 154.6
[M-H]- 208.055014 148.3
[M+NH4]+ 227.096113 163.2
[M+K]+ 248.025448 151.5
[M+H-H2O]+ 192.059550 135.8
[M+HCOO]- 254.060491 164.5
[M+CH3COO]- 268.076141 157.0
[M+Na-2H]- 230.036956 143.0
[M]+ 209.06174142 147.2
[M]- 209.06283858 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.