CID 5271557

Chembl3273925

Structural Information

Molecular Formula
C20H19NO4
SMILES
CC1(C(=O)C=CC(O1)OC(=O)NC)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H19NO4/c1-20(17(22)12-13-18(25-20)24-19(23)21-2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13,18H,1-2H3,(H,21,23)
InChIKey
WAFJSVJRYUCSTB-UHFFFAOYSA-N
Compound name
[6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.1314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 179.7
[M+Na]+ 360.12062 186.1
[M-H]- 336.12412 190.1
[M+NH4]+ 355.16522 193.1
[M+K]+ 376.09456 183.9
[M+H-H2O]+ 320.12866 170.5
[M+HCOO]- 382.12960 200.8
[M+CH3COO]- 396.14525 211.2
[M+Na-2H]- 358.10607 184.0
[M]+ 337.13085 180.3
[M]- 337.13195 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.