CID 135429320

Schembl6448346

Structural Information

Molecular Formula
C16H15N3O2
SMILES
COC1=CC(=C(C=C1)O)C2=NN(C=C2)CC3=CC=CC=N3
InChI
InChI=1S/C16H15N3O2/c1-21-13-5-6-16(20)14(10-13)15-7-9-19(18-15)11-12-4-2-3-8-17-12/h2-10,20H,11H2,1H3
InChIKey
KJHRHWDJHREWBQ-UHFFFAOYSA-N
Compound name
4-methoxy-2-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

281.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 164.2
[M+Na]+ 304.10564 173.3
[M-H]- 280.10914 169.3
[M+NH4]+ 299.15024 176.9
[M+K]+ 320.07958 168.0
[M+H-H2O]+ 264.11368 153.9
[M+HCOO]- 326.11462 184.8
[M+CH3COO]- 340.13027 175.5
[M+Na-2H]- 302.09109 168.1
[M]+ 281.11587 165.7
[M]- 281.11697 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

patents stripe