CID 16653076

3-ethyl-4-(thiophen-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C9H11N3S
SMILES
CCC1=C(C(=NN1)N)C2=CC=CS2
InChI
InChI=1S/C9H11N3S/c1-2-6-8(9(10)12-11-6)7-4-3-5-13-7/h3-5H,2H2,1H3,(H3,10,11,12)
InChIKey
RTWOAIQGFKQEFY-UHFFFAOYSA-N
Compound name
5-ethyl-4-thiophen-2-yl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.06737 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.074646 138.9
[M+Na]+ 216.056588 150.2
[M-H]- 192.060094 143.2
[M+NH4]+ 211.101193 159.5
[M+K]+ 232.030528 145.7
[M+H-H2O]+ 176.064630 132.5
[M+HCOO]- 238.065571 159.4
[M+CH3COO]- 252.081221 152.9
[M+Na-2H]- 214.042036 139.8
[M]+ 193.06682142 140.3
[M]- 193.06791858 140.3
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