CID 49700

Brn 1091810

Structural Information

Molecular Formula
C22H23NO4
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCOCC3)OC)C4=CC=CC=C4
InChI
InChI=1S/C22H23NO4/c1-15-20(24)17-8-9-19(25-2)18(14-23-10-12-26-13-11-23)22(17)27-21(15)16-6-4-3-5-7-16/h3-9H,10-14H2,1-2H3
InChIKey
LZNXOMGYKNRPPV-UHFFFAOYSA-N
Compound name
7-methoxy-3-methyl-8-(morpholin-4-ylmethyl)-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.16272 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.169996 189.1
[M+Na]+ 388.151938 196.5
[M-H]- 364.155444 199.3
[M+NH4]+ 383.196543 198.1
[M+K]+ 404.125878 194.1
[M+H-H2O]+ 348.159980 178.0
[M+HCOO]- 410.160921 204.9
[M+CH3COO]- 424.176571 199.1
[M+Na-2H]- 386.137386 192.5
[M]+ 365.16217142 191.0
[M]- 365.16326858 191.0
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.