CID 740214

[1-phenyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]methanol

Structural Information

Molecular Formula
C14H12N2OS
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)CO
InChI
InChI=1S/C14H12N2OS/c17-10-11-9-16(12-5-2-1-3-6-12)15-14(11)13-7-4-8-18-13/h1-9,17H,10H2
InChIKey
VXPKOZBAZPODMY-UHFFFAOYSA-N
Compound name
(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

256.06705 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07433 155.1
[M+Na]+ 279.05627 166.6
[M-H]- 255.05977 163.0
[M+NH4]+ 274.10087 173.4
[M+K]+ 295.03021 161.3
[M+H-H2O]+ 239.06431 148.0
[M+HCOO]- 301.06525 175.5
[M+CH3COO]- 315.08090 168.7
[M+Na-2H]- 277.04172 156.1
[M]+ 256.06650 158.9
[M]- 256.06760 158.9
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