CID 54676576

Nsc373946

Structural Information

Molecular Formula
C21H21NO5
SMILES
COC1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)N4CCOCC4
InChI
InChI=1S/C21H21NO5/c1-25-15-8-6-14(7-9-15)19(22-10-12-26-13-11-22)18-20(23)16-4-2-3-5-17(16)27-21(18)24/h2-9,19,23H,10-13H2,1H3
InChIKey
SMWXOFNUTOTTPR-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(4-methoxyphenyl)-morpholin-4-ylmethyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 186.3
[M+Na]+ 390.13119 192.3
[M-H]- 366.13469 195.1
[M+NH4]+ 385.17579 194.0
[M+K]+ 406.10513 190.5
[M+H-H2O]+ 350.13923 175.6
[M+HCOO]- 412.14017 200.2
[M+CH3COO]- 426.15582 195.5
[M+Na-2H]- 388.11664 189.8
[M]+ 367.14142 186.6
[M]- 367.14252 186.6
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.