CID 366655

Nsc635330

Structural Information

Molecular Formula
C20H14N2O5
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CC3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)O
InChI
InChI=1S/C20H14N2O5/c23-18(14-6-5-12-3-1-2-4-13(12)9-14)11-20(25)16-10-15(22(26)27)7-8-17(16)21-19(20)24/h1-10,25H,11H2,(H,21,24)
InChIKey
UOFZTOWRSSKUNS-UHFFFAOYSA-N
Compound name
3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-5-nitro-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.09027 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09755 181.2
[M+Na]+ 385.07949 187.6
[M-H]- 361.08299 186.1
[M+NH4]+ 380.12409 195.1
[M+K]+ 401.05343 177.9
[M+H-H2O]+ 345.08753 177.6
[M+HCOO]- 407.08847 198.5
[M+CH3COO]- 421.10412 204.4
[M+Na-2H]- 383.06494 187.1
[M]+ 362.08972 178.8
[M]- 362.09082 178.8
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.