CID 71341490

136858-52-1

Structural Information

Molecular Formula
C26H25NO3
SMILES
CC(C)OC1=C(C(=O)C2=CC=CC3=C(C=CC1=C32)N4CCOCC4)C5=CC=CC=C5
InChI
InChI=1S/C26H25NO3/c1-17(2)30-26-21-11-12-22(27-13-15-29-16-14-27)19-9-6-10-20(24(19)21)25(28)23(26)18-7-4-3-5-8-18/h3-12,17H,13-16H2,1-2H3
InChIKey
XZOCXJNBJKPKQN-UHFFFAOYSA-N
Compound name
6-morpholin-4-yl-2-phenyl-3-propan-2-yloxyphenalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.18344 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.19072 198.9
[M+Na]+ 422.17266 203.9
[M-H]- 398.17616 207.5
[M+NH4]+ 417.21726 208.3
[M+K]+ 438.14660 199.3
[M+H-H2O]+ 382.18070 186.7
[M+HCOO]- 444.18164 211.0
[M+CH3COO]- 458.19729 206.8
[M+Na-2H]- 420.15811 200.7
[M]+ 399.18289 198.2
[M]- 399.18399 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.