CID 13324430

90512-49-5

Structural Information

Molecular Formula
C25H27NO4
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCCN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C25H27NO4/c1-18-22(27)20-12-8-13-21(24(20)30-23(18)19-10-4-2-5-11-19)25(28)29-17-9-16-26-14-6-3-7-15-26/h2,4-5,8,10-13H,3,6-7,9,14-17H2,1H3
InChIKey
RUEVMOQFPXLEMI-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.194 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.20128 199.0
[M+Na]+ 428.18322 214.2
[M+NH4]+ 423.22782 206.1
[M+K]+ 444.15716 205.5
[M-H]- 404.18672 206.2
[M+Na-2H]- 426.16867 206.4
[M]+ 405.19345 203.3
[M]- 405.19455 203.3
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.