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]+ 194.07465 138.9
[M+Na]+ 216.05659 150.2
[M-H]- 192.06009 143.2
[M+NH4]+ 211.10119 159.5
[M+K]+ 232.03053 145.7
[M+H-H2O]+ 176.06463 132.5
[M+HCOO]- 238.06557 159.4
[M+CH3COO]- 252.08122 152.9
[M+Na-2H]- 214.04204 139.8
[M]+ 193.06682 140.3
[M]- 193.06792 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