CID 135600299

128404-76-2

Structural Information

Molecular Formula
C20H13NO2S
SMILES
C1=CC=C(C=C1)N=C(C2=CC=CS2)C3=C(C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C20H13NO2S/c22-19-14-9-4-5-10-15(14)20(23)17(19)18(16-11-6-12-24-16)21-13-7-2-1-3-8-13/h1-12,22H
InChIKey
KKDKUXMAFDGXKR-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(N-phenyl-C-thiophen-2-ylcarbonimidoyl)inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0667 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.073976 178.0
[M+Na]+ 354.055918 187.4
[M-H]- 330.059424 190.1
[M+NH4]+ 349.100523 196.8
[M+K]+ 370.029858 181.5
[M+H-H2O]+ 314.063960 171.7
[M+HCOO]- 376.064901 199.3
[M+CH3COO]- 390.080551 190.5
[M+Na-2H]- 352.041366 177.9
[M]+ 331.06615142 181.3
[M]- 331.06724858 181.3
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.