CID 3078754

Brn 5985691

Structural Information

Molecular Formula
C20H19NO3
SMILES
C1COCCN1C2C(=CC3=CC=CC=C3O2)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H19NO3/c22-19(15-6-2-1-3-7-15)17-14-16-8-4-5-9-18(16)24-20(17)21-10-12-23-13-11-21/h1-9,14,20H,10-13H2
InChIKey
ZAGJCGPUGWCYQI-UHFFFAOYSA-N
Compound name
(2-morpholin-4-yl-2H-chromen-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1365 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14378 175.7
[M+Na]+ 344.12572 191.2
[M+NH4]+ 339.17032 184.4
[M+K]+ 360.09966 183.4
[M-H]- 320.12922 184.9
[M+Na-2H]- 342.11117 184.0
[M]+ 321.13595 180.7
[M]- 321.13705 180.7
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.