CID 365368

Nsc632954

Structural Information

Molecular Formula
C17H12N2O5
SMILES
C1C(C2=CC=CC=C2C1=O)C3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)O
InChI
InChI=1S/C17H12N2O5/c20-15-8-12(10-3-1-2-4-11(10)15)17(22)13-7-9(19(23)24)5-6-14(13)18-16(17)21/h1-7,12,22H,8H2,(H,18,21)
InChIKey
FTUCCNRWNKIWOO-UHFFFAOYSA-N
Compound name
3-hydroxy-5-nitro-3-(3-oxo-1,2-dihydroinden-1-yl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.07462 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08190 170.7
[M+Na]+ 347.06384 178.6
[M-H]- 323.06734 176.5
[M+NH4]+ 342.10844 188.5
[M+K]+ 363.03778 169.1
[M+H-H2O]+ 307.07188 169.2
[M+HCOO]- 369.07282 189.5
[M+CH3COO]- 383.08847 196.2
[M+Na-2H]- 345.04929 175.5
[M]+ 324.07407 167.8
[M]- 324.07517 167.8
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.