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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
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

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Patent stripe

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