CID 3554291

618383-39-4

Structural Information

Molecular Formula
C16H15N3O2
SMILES
COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)CO
InChI
InChI=1S/C16H15N3O2/c1-21-15-6-4-14(5-7-15)19-10-13(11-20)16(18-19)12-3-2-8-17-9-12/h2-10,20H,11H2,1H3
InChIKey
JEYQXVXQTHCSCZ-UHFFFAOYSA-N
Compound name
[1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 165.6
[M+Na]+ 304.10564 181.0
[M+NH4]+ 299.15024 172.8
[M+K]+ 320.07958 175.5
[M-H]- 280.10914 169.7
[M+Na-2H]- 302.09109 175.4
[M]+ 281.11587 169.0
[M]- 281.11697 169.0
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.