CID 54695442

Nsc373949

Structural Information

Molecular Formula
C22H23NO6
SMILES
COC1=CC(=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)N4CCOCC4)OC
InChI
InChI=1S/C22H23NO6/c1-26-14-7-8-15(18(13-14)27-2)20(23-9-11-28-12-10-23)19-21(24)16-5-3-4-6-17(16)29-22(19)25/h3-8,13,20,24H,9-12H2,1-2H3
InChIKey
RSGZQOJZYCRBIC-UHFFFAOYSA-N
Compound name
3-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.15253 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15981 194.1
[M+Na]+ 420.14175 200.2
[M-H]- 396.14525 203.0
[M+NH4]+ 415.18635 200.7
[M+K]+ 436.11569 199.1
[M+H-H2O]+ 380.14979 183.1
[M+HCOO]- 442.15073 207.7
[M+CH3COO]- 456.16638 203.0
[M+Na-2H]- 418.12720 196.5
[M]+ 397.15198 196.6
[M]- 397.15308 196.6
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.