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]+ 332.07398 178.0
[M+Na]+ 354.05592 187.4
[M-H]- 330.05942 190.1
[M+NH4]+ 349.10052 196.8
[M+K]+ 370.02986 181.5
[M+H-H2O]+ 314.06396 171.7
[M+HCOO]- 376.06490 199.3
[M+CH3COO]- 390.08055 190.5
[M+Na-2H]- 352.04137 177.9
[M]+ 331.06615 181.3
[M]- 331.06725 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.