CID 135465526

Schembl6454408

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CC1=C(N=CC=C1)N2C=CC(=N2)C3=C(C=C(C=C3)OC)O
InChI
InChI=1S/C16H15N3O2/c1-11-4-3-8-17-16(11)19-9-7-14(18-19)13-6-5-12(21-2)10-15(13)20/h3-10,20H,1-2H3
InChIKey
XXHRRLKORYQOSC-UHFFFAOYSA-N
Compound name
5-methoxy-2-[1-(3-methylpyridin-2-yl)pyrazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

281.11642 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 164.6
[M+Na]+ 304.10564 174.7
[M-H]- 280.10914 170.3
[M+NH4]+ 299.15024 177.7
[M+K]+ 320.07958 169.4
[M+H-H2O]+ 264.11368 154.7
[M+HCOO]- 326.11462 185.3
[M+CH3COO]- 340.13027 176.4
[M+Na-2H]- 302.09109 167.8
[M]+ 281.11587 166.6
[M]- 281.11697 166.6
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.