CID 135429325

Schembl7049088

Structural Information

Molecular Formula
C16H15N3O3
SMILES
COC1=C(C=C(C(=C1)C2=NN(C=C2)C3=CC=CC=N3)O)OC
InChI
InChI=1S/C16H15N3O3/c1-21-14-9-11(13(20)10-15(14)22-2)12-6-8-19(18-12)16-5-3-4-7-17-16/h3-10,20H,1-2H3
InChIKey
HZPXHTLUASWQFG-UHFFFAOYSA-N
Compound name
4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.11133 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 167.4
[M+Na]+ 320.10055 177.2
[M-H]- 296.10405 173.1
[M+NH4]+ 315.14515 179.7
[M+K]+ 336.07449 172.6
[M+H-H2O]+ 280.10859 157.3
[M+HCOO]- 342.10953 188.2
[M+CH3COO]- 356.12518 179.0
[M+Na-2H]- 318.08600 170.7
[M]+ 297.11078 170.7
[M]- 297.11188 170.7
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