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]+ 408.18056 197.6
[M+Na]+ 430.16250 200.8
[M-H]- 406.16600 205.5
[M+NH4]+ 425.20710 203.0
[M+K]+ 446.13644 199.0
[M+H-H2O]+ 390.17054 186.7
[M+HCOO]- 452.17148 208.6
[M+CH3COO]- 466.18713 204.9
[M+Na-2H]- 428.14795 198.1
[M]+ 407.17273 196.6
[M]- 407.17383 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.