CID 3354

Flavoxate

Structural Information

Molecular Formula
C24H25NO4
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3
InChIKey
SPIUTQOUKAMGCX-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

160
References

8949
Patents

391.17834 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18562 194.5
[M+Na]+ 414.16756 209.9
[M+NH4]+ 409.21216 201.8
[M+K]+ 430.14150 201.5
[M-H]- 390.17106 201.8
[M+Na-2H]- 412.15301 202.1
[M]+ 391.17779 198.8
[M]- 391.17889 198.8
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