CID 3973

154447-36-6

Structural Information

Molecular Formula
C19H17NO3
SMILES
C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKey
CZQHHVNHHHRRDU-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-8-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5645
References

3408
Patents

307.12085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.128126 170.8
[M+Na]+ 330.110068 178.0
[M-H]- 306.113574 180.8
[M+NH4]+ 325.154673 181.8
[M+K]+ 346.084008 175.3
[M+H-H2O]+ 290.118110 160.3
[M+HCOO]- 352.119051 187.6
[M+CH3COO]- 366.134701 181.7
[M+Na-2H]- 328.095516 177.3
[M]+ 307.12030142 169.5
[M]- 307.12139858 169.5
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

patents stripe