CID 15956828

Schembl6450067

Structural Information

Molecular Formula
C15H12N4O3
SMILES
COC1=CC=CC=C1C2=CC=NN2C3=C(C=CC=N3)[N+](=O)[O-]
InChI
InChI=1S/C15H12N4O3/c1-22-14-7-3-2-5-11(14)12-8-10-17-18(12)15-13(19(20)21)6-4-9-16-15/h2-10H,1H3
InChIKey
DZYMHXYAZRLELT-UHFFFAOYSA-N
Compound name
2-[5-(2-methoxyphenyl)pyrazol-1-yl]-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

296.09094 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09822 165.2
[M+Na]+ 319.08016 173.0
[M-H]- 295.08366 172.0
[M+NH4]+ 314.12476 176.8
[M+K]+ 335.05410 164.7
[M+H-H2O]+ 279.08820 159.0
[M+HCOO]- 341.08914 188.4
[M+CH3COO]- 355.10479 196.1
[M+Na-2H]- 317.06561 172.3
[M]+ 296.09039 165.1
[M]- 296.09149 165.1
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