CID 9890959

Npc-16377

Structural Information

Molecular Formula
C27H33NO4
SMILES
CC1=C(OC2=C(C1=O)C=C(C=C2)OCCCCCCN3CCC(CC3)O)C4=CC=CC=C4
InChI
InChI=1S/C27H33NO4/c1-20-26(30)24-19-23(11-12-25(24)32-27(20)21-9-5-4-6-10-21)31-18-8-3-2-7-15-28-16-13-22(29)14-17-28/h4-6,9-12,19,22,29H,2-3,7-8,13-18H2,1H3
InChIKey
RFUIYSLMVBVREF-UHFFFAOYSA-N
Compound name
6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-3-methyl-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

25
Patents

435.24097 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.24825 210.1
[M+Na]+ 458.23019 214.3
[M-H]- 434.23369 217.1
[M+NH4]+ 453.27479 216.6
[M+K]+ 474.20413 209.1
[M+H-H2O]+ 418.23823 198.1
[M+HCOO]- 480.23917 223.4
[M+CH3COO]- 494.25482 229.4
[M+Na-2H]- 456.21564 210.0
[M]+ 435.24042 211.1
[M]- 435.24152 211.1
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

patents stripe