CID 388285

Nsc682925

Structural Information

Molecular Formula
C15H14N2O4
SMILES
CC(=O)N1C2C(C=N1)C(=C3C=CC=CC3=C2O)OC(=O)C
InChI
InChI=1S/C15H14N2O4/c1-8(18)17-13-12(7-16-17)15(21-9(2)19)11-6-4-3-5-10(11)14(13)20/h3-7,12-13,20H,1-2H3
InChIKey
OLKONXYSUGTWSO-UHFFFAOYSA-N
Compound name
(1-acetyl-9-hydroxy-3a,9a-dihydrobenzo[f]indazol-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09537 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10265 163.2
[M+Na]+ 309.08459 173.5
[M-H]- 285.08809 165.8
[M+NH4]+ 304.12919 179.9
[M+K]+ 325.05853 169.9
[M+H-H2O]+ 269.09263 156.2
[M+HCOO]- 331.09357 181.1
[M+CH3COO]- 345.10922 199.3
[M+Na-2H]- 307.07004 166.3
[M]+ 286.09482 167.3
[M]- 286.09592 167.3
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.