CID 384965

Nsc675795

Structural Information

Molecular Formula
C24H24N2O3S
SMILES
CC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C24H24N2O3S/c1-13-2-3-19-17(4-13)8-18(22(28)29-19)21(27)26-23-25-20(12-30-23)24-9-14-5-15(10-24)7-16(6-14)11-24/h2-4,8,12,14-16H,5-7,9-11H2,1H3,(H,25,26,27)
InChIKey
GTNFTNQCHVABPX-UHFFFAOYSA-N
Compound name
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-6-methyl-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.15076 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15804 184.2
[M+Na]+ 443.13998 188.0
[M-H]- 419.14348 185.9
[M+NH4]+ 438.18458 201.3
[M+K]+ 459.11392 184.7
[M+H-H2O]+ 403.14802 175.2
[M+HCOO]- 465.14896 186.5
[M+CH3COO]- 479.16461 191.1
[M+Na-2H]- 441.12543 192.6
[M]+ 420.15021 190.6
[M]- 420.15131 190.6
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.