CID 15956831

Schembl6450478

Structural Information

Molecular Formula
C15H13N3O
SMILES
COC1=CC=CC=C1C2=CC=NN2C3=CC=CC=N3
InChI
InChI=1S/C15H13N3O/c1-19-14-7-3-2-6-12(14)13-9-11-17-18(13)15-8-4-5-10-16-15/h2-11H,1H3
InChIKey
YMTUYMRHZSMORA-UHFFFAOYSA-N
Compound name
2-[5-(2-methoxyphenyl)pyrazol-1-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.10587 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11315 156.0
[M+Na]+ 274.09509 165.3
[M-H]- 250.09859 162.2
[M+NH4]+ 269.13969 170.4
[M+K]+ 290.06903 160.5
[M+H-H2O]+ 234.10313 145.6
[M+HCOO]- 296.10407 178.3
[M+CH3COO]- 310.11972 168.3
[M+Na-2H]- 272.08054 161.6
[M]+ 251.10532 157.2
[M]- 251.10642 157.2
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.