CID 384966

Nsc675796

Structural Information

Molecular Formula
C23H21ClN2O3S
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=C(C=CC(=C6)Cl)OC5=O
InChI
InChI=1S/C23H21ClN2O3S/c24-16-1-2-18-15(6-16)7-17(21(28)29-18)20(27)26-22-25-19(11-30-22)23-8-12-3-13(9-23)5-14(4-12)10-23/h1-2,6-7,11-14H,3-5,8-10H2,(H,25,26,27)
InChIKey
GPFYVQKYPVISDP-UHFFFAOYSA-N
Compound name
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-6-chloro-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.09613 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.10341 186.9
[M+Na]+ 463.08535 192.0
[M-H]- 439.08885 188.8
[M+NH4]+ 458.12995 204.2
[M+K]+ 479.05929 188.2
[M+H-H2O]+ 423.09339 179.1
[M+HCOO]- 485.09433 185.6
[M+CH3COO]- 499.10998 194.0
[M+Na-2H]- 461.07080 195.4
[M]+ 440.09558 195.5
[M]- 440.09668 195.5
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.