CID 54695475

Nsc647595

Structural Information

Molecular Formula
C24H25NO5
SMILES
CC(=O)C(CN1CCOCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C24H25NO5/c1-16(26)19(15-25-11-13-29-14-12-25)21(17-7-3-2-4-8-17)22-23(27)18-9-5-6-10-20(18)30-24(22)28/h2-10,19,21,27H,11-15H2,1H3
InChIKey
WYSBRMWWVGTIDC-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[2-(morpholin-4-ylmethyl)-3-oxo-1-phenylbutyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.17328 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.180556 197.6
[M+Na]+ 430.162498 200.8
[M-H]- 406.166004 205.5
[M+NH4]+ 425.207103 203.0
[M+K]+ 446.136438 199.0
[M+H-H2O]+ 390.170540 186.7
[M+HCOO]- 452.171481 208.6
[M+CH3COO]- 466.187131 204.9
[M+Na-2H]- 428.147946 198.1
[M]+ 407.17273142 196.6
[M]- 407.17382858 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.