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]+ 282.123696 164.2
[M+Na]+ 304.105638 173.3
[M-H]- 280.109144 169.3
[M+NH4]+ 299.150243 176.9
[M+K]+ 320.079578 168.0
[M+H-H2O]+ 264.113680 153.9
[M+HCOO]- 326.114621 184.8
[M+CH3COO]- 340.130271 175.5
[M+Na-2H]- 302.091086 168.1
[M]+ 281.11587142 165.7
[M]- 281.11696858 165.7
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.