CID 9570046

Nsc635401

Structural Information

Molecular Formula
C20H16N2O3
SMILES
C1=CC=C2C=C(C=CC2=C1)/C(=N\O)/CC3(C4=CC=CC=C4NC3=O)O
InChI
InChI=1S/C20H16N2O3/c23-19-20(24,16-7-3-4-8-17(16)21-19)12-18(22-25)15-10-9-13-5-1-2-6-14(13)11-15/h1-11,24-25H,12H2,(H,21,23)/b22-18-
InChIKey
JZWCJJYBAYUZIP-PYCFMQQDSA-N
Compound name
3-hydroxy-3-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethyl]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1161 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12338 176.3
[M+Na]+ 355.10532 183.9
[M-H]- 331.10882 181.1
[M+NH4]+ 350.14992 192.5
[M+K]+ 371.07926 177.2
[M+H-H2O]+ 315.11336 168.2
[M+HCOO]- 377.11430 194.1
[M+CH3COO]- 391.12995 186.2
[M+Na-2H]- 353.09077 181.2
[M]+ 332.11555 174.3
[M]- 332.11665 174.3
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.