CID 54680426

Nsc675790

Structural Information

Molecular Formula
C23H23N3O3S
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=C(C6=CC=CC=C6NC5=O)O
InChI
InChI=1S/C23H23N3O3S/c27-19-15-3-1-2-4-16(15)24-20(28)18(19)21(29)26-22-25-17(11-30-22)23-8-12-5-13(9-23)7-14(6-12)10-23/h1-4,11-14H,5-10H2,(H2,24,27,28)(H,25,26,29)
InChIKey
WANQKVAYNIWVHC-UHFFFAOYSA-N
Compound name
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.14603 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.153306 182.0
[M+Na]+ 444.135248 185.2
[M-H]- 420.138754 179.4
[M+NH4]+ 439.179853 197.7
[M+K]+ 460.109188 179.9
[M+H-H2O]+ 404.143290 173.7
[M+HCOO]- 466.144231 181.6
[M+CH3COO]- 480.159881 187.4
[M+Na-2H]- 442.120696 190.9
[M]+ 421.14548142 185.5
[M]- 421.14657858 185.5
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.