CID 43158972

1-phenyl-3-(thiophen-3-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C13H11N3S
SMILES
C1=CC=C(C=C1)N2C(=CC(=N2)C3=CSC=C3)N
InChI
InChI=1S/C13H11N3S/c14-13-8-12(10-6-7-17-9-10)15-16(13)11-4-2-1-3-5-11/h1-9H,14H2
InChIKey
XUTWJZUMWOGOFO-UHFFFAOYSA-N
Compound name
1-phenyl-3-thiophen-3-ylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

241.06737 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.074646 150.5
[M+Na]+ 264.056588 162.1
[M-H]- 240.060094 159.4
[M+NH4]+ 259.101193 169.5
[M+K]+ 280.030528 156.8
[M+H-H2O]+ 224.064630 143.0
[M+HCOO]- 286.065571 172.9
[M+CH3COO]- 300.081221 164.5
[M+Na-2H]- 262.042036 152.1
[M]+ 241.06682142 152.8
[M]- 241.06791858 152.8
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