CID 366683

Nsc635400

Structural Information

Molecular Formula
C15H11N3O5
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(C(=O)N2)(CC(=O)C3=CC=NC=C3)O
InChI
InChI=1S/C15H11N3O5/c19-13(9-3-5-16-6-4-9)8-15(21)11-7-10(18(22)23)1-2-12(11)17-14(15)20/h1-7,21H,8H2,(H,17,20)
InChIKey
YLAAGNVVOHQUNG-UHFFFAOYSA-N
Compound name
3-hydroxy-5-nitro-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0699 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.07718 166.5
[M+Na]+ 336.05912 173.3
[M-H]- 312.06262 169.5
[M+NH4]+ 331.10372 180.2
[M+K]+ 352.03306 164.8
[M+H-H2O]+ 296.06716 163.2
[M+HCOO]- 358.06810 184.9
[M+CH3COO]- 372.08375 192.8
[M+Na-2H]- 334.04457 173.2
[M]+ 313.06935 163.7
[M]- 313.07045 163.7
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.