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
2-phenyl-5-thiophen-3-ylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.06737 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07465 151.0
[M+Na]+ 264.05659 165.2
[M+NH4]+ 259.10119 160.4
[M+K]+ 280.03053 159.2
[M-H]- 240.06009 157.0
[M+Na-2H]- 262.04204 161.3
[M]+ 241.06682 155.2
[M]- 241.06792 155.2
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.