CID 16228641

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

Structural Information

Molecular Formula
C13H11N3S
SMILES
C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)N
InChI
InChI=1S/C13H11N3S/c14-13-9-11(12-7-4-8-17-12)15-16(13)10-5-2-1-3-6-10/h1-9H,14H2
InChIKey
BZGSXFFNBNQVJN-UHFFFAOYSA-N
Compound name
1-phenyl-3-thiophen-2-ylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
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

literature stripe

Patent stripe

patents stripe