CID 384963

Nsc675793

Structural Information

Molecular Formula
C23H22N2O3S
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=CC=CC=C6OC5=O
InChI
InChI=1S/C23H22N2O3S/c26-20(17-8-16-3-1-2-4-18(16)28-21(17)27)25-22-24-19(12-29-22)23-9-13-5-14(10-23)7-15(6-13)11-23/h1-4,8,12-15H,5-7,9-11H2,(H,24,25,26)
InChIKey
NYWZORGKOTVQOJ-UHFFFAOYSA-N
Compound name
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1351 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.14238 177.8
[M+Na]+ 429.12432 181.4
[M-H]- 405.12782 179.5
[M+NH4]+ 424.16892 195.3
[M+K]+ 445.09826 178.3
[M+H-H2O]+ 389.13236 168.9
[M+HCOO]- 451.13330 180.7
[M+CH3COO]- 465.14895 185.0
[M+Na-2H]- 427.10977 187.5
[M]+ 406.13455 183.7
[M]- 406.13565 183.7
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.