CID 501289

(1-methyl-4,9-dioxo-benzo[f]indazol-8-yl) acetate

Structural Information

Molecular Formula
C14H10N2O4
SMILES
CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=NN3C
InChI
InChI=1S/C14H10N2O4/c1-7(17)20-10-5-3-4-8-11(10)14(19)12-9(13(8)18)6-15-16(12)2/h3-6H,1-2H3
InChIKey
BXGBVFKYFFPKGB-UHFFFAOYSA-N
Compound name
(1-methyl-4,9-dioxobenzo[f]indazol-8-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.06406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 157.4
[M+Na]+ 293.05328 169.0
[M-H]- 269.05678 161.3
[M+NH4]+ 288.09788 175.5
[M+K]+ 309.02722 165.5
[M+H-H2O]+ 253.06132 150.4
[M+HCOO]- 315.06226 176.9
[M+CH3COO]- 329.07791 199.3
[M+Na-2H]- 291.03873 161.0
[M]+ 270.06351 161.9
[M]- 270.06461 161.9
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.