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]+ 406.201276 199.8
[M+Na]+ 428.183218 204.5
[M-H]- 404.186724 208.3
[M+NH4]+ 423.227823 207.8
[M+K]+ 444.157158 200.4
[M+H-H2O]+ 388.191260 188.0
[M+HCOO]- 450.192201 214.6
[M+CH3COO]- 464.207851 224.2
[M+Na-2H]- 426.168666 200.8
[M]+ 405.19345142 200.1
[M]- 405.19454858 200.1
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.