CID 5745480

57028-63-4

Structural Information

Molecular Formula
C25H29NO4
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2CN(CC(C3=CC=CC=C3)O)C4CCCCC4)O
InChI
InChI=1S/C25H29NO4/c1-17-14-24(29)30-25-20(17)12-13-22(27)21(25)15-26(19-10-6-3-7-11-19)16-23(28)18-8-4-2-5-9-18/h2,4-5,8-9,12-14,19,23,27-28H,3,6-7,10-11,15-16H2,1H3
InChIKey
PSVNPJHZBBYEPR-UHFFFAOYSA-N
Compound name
8-[[cyclohexyl-(2-hydroxy-2-phenylethyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.20966 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21694 198.8
[M+Na]+ 430.19888 201.6
[M-H]- 406.20238 207.3
[M+NH4]+ 425.24348 207.1
[M+K]+ 446.17282 198.3
[M+H-H2O]+ 390.20692 188.4
[M+HCOO]- 452.20786 213.3
[M+CH3COO]- 466.22351 226.8
[M+Na-2H]- 428.18433 199.1
[M]+ 407.20911 196.7
[M]- 407.21021 196.7
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.