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 164.2
[M+Na]+ 320.06417 172.8
[M-H]- 296.06767 170.4
[M+NH4]+ 315.10877 178.4
[M+K]+ 336.03811 165.2
[M+H-H2O]+ 280.07221 159.7
[M+HCOO]- 342.07315 187.9
[M+CH3COO]- 356.08880 195.9
[M+Na-2H]- 318.04962 171.7
[M]+ 297.07440 166.5
[M]- 297.07550 166.5
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.