CID 135424610

Schembl6449917

Structural Information

Molecular Formula
C15H13N3O2
SMILES
COC1=CC(=C(C=C1)O)C2=NN(C=C2)C3=CC=CC=N3
InChI
InChI=1S/C15H13N3O2/c1-20-11-5-6-14(19)12(10-11)13-7-9-18(17-13)15-4-2-3-8-16-15/h2-10,19H,1H3
InChIKey
LGWRUXRBKCTJGC-UHFFFAOYSA-N
Compound name
4-methoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.10077 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 159.7
[M+Na]+ 290.08999 169.3
[M-H]- 266.09349 165.1
[M+NH4]+ 285.13459 173.0
[M+K]+ 306.06393 164.2
[M+H-H2O]+ 250.09803 149.7
[M+HCOO]- 312.09897 180.7
[M+CH3COO]- 326.11462 171.5
[M+Na-2H]- 288.07544 164.2
[M]+ 267.10022 160.9
[M]- 267.10132 160.9
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