CID 5466102

Nsc675799

Structural Information

Molecular Formula
C23H22N2O4S
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=C(C=C(C=C6)O)OC5=O
InChI
InChI=1S/C23H22N2O4S/c26-16-2-1-15-6-17(21(28)29-18(15)7-16)20(27)25-22-24-19(11-30-22)23-8-12-3-13(9-23)5-14(4-12)10-23/h1-2,6-7,11-14,26H,3-5,8-10H2,(H,24,25,27)
InChIKey
WWGRENIEFJNRSX-UHFFFAOYSA-N
Compound name
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-7-hydroxy-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.13004 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.13732 181.3
[M+Na]+ 445.11926 184.9
[M-H]- 421.12276 181.9
[M+NH4]+ 440.16386 197.6
[M+K]+ 461.09320 182.0
[M+H-H2O]+ 405.12730 173.1
[M+HCOO]- 467.12824 182.7
[M+CH3COO]- 481.14389 188.0
[M+Na-2H]- 443.10471 190.8
[M]+ 422.12949 187.5
[M]- 422.13059 187.5
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.