CID 54680427

Nsc675791

Structural Information

Molecular Formula
C24H25N3O3S
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)O
InChI
InChI=1S/C24H25N3O3S/c1-27-17-5-3-2-4-16(17)20(28)19(22(27)30)21(29)26-23-25-18(12-31-23)24-9-13-6-14(10-24)8-15(7-13)11-24/h2-5,12-15,28H,6-11H2,1H3,(H,25,26,29)
InChIKey
XJGCSIWHKDCZPK-UHFFFAOYSA-N
Compound name
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.16165 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.16893 189.2
[M+Na]+ 458.15087 192.9
[M-H]- 434.15437 187.8
[M+NH4]+ 453.19547 205.1
[M+K]+ 474.12481 188.1
[M+H-H2O]+ 418.15891 180.3
[M+HCOO]- 480.15985 189.5
[M+CH3COO]- 494.17550 194.8
[M+Na-2H]- 456.13632 196.9
[M]+ 435.16110 194.6
[M]- 435.16220 194.6
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.