CID 366754

Nsc635527

Structural Information

Molecular Formula
C22H16N2O5
SMILES
C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)C3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)O
InChI
InChI=1S/C22H16N2O5/c25-20(15-9-5-2-6-10-15)19(14-7-3-1-4-8-14)22(27)17-13-16(24(28)29)11-12-18(17)23-21(22)26/h1-13,19,27H,(H,23,26)
InChIKey
HJNBJRGJCGJFHU-UHFFFAOYSA-N
Compound name
3-hydroxy-5-nitro-3-(2-oxo-1,2-diphenylethyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.10593 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.11321 188.9
[M+Na]+ 411.09515 193.0
[M-H]- 387.09865 195.6
[M+NH4]+ 406.13975 199.9
[M+K]+ 427.06909 183.7
[M+H-H2O]+ 371.10319 184.3
[M+HCOO]- 433.10413 206.1
[M+CH3COO]- 447.11978 208.2
[M+Na-2H]- 409.08060 192.6
[M]+ 388.10538 184.7
[M]- 388.10648 184.7
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.