CID 212070

1h-indazole, 1-(4-methoxybenzoyl)-5-nitro-

Structural Information

Molecular Formula
C15H11N3O4
SMILES
COC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2
InChI
InChI=1S/C15H11N3O4/c1-22-13-5-2-10(3-6-13)15(19)17-14-7-4-12(18(20)21)8-11(14)9-16-17/h2-9H,1H3
InChIKey
OAQTXKVXMXPLFX-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-(5-nitroindazol-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.07495 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08223 162.7
[M+Na]+ 320.06417 177.9
[M+NH4]+ 315.10877 169.7
[M+K]+ 336.03811 176.1
[M-H]- 296.06767 166.7
[M+Na-2H]- 318.04962 170.4
[M]+ 297.07440 165.8
[M]- 297.07550 165.8
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.