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
7
Annotation Hits

160
References

9290
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 195.3
[M+Na]+ 414.16756 200.5
[M-H]- 390.17106 204.0
[M+NH4]+ 409.21216 203.9
[M+K]+ 430.14150 196.6
[M+H-H2O]+ 374.17560 183.7
[M+HCOO]- 436.17654 210.4
[M+CH3COO]- 450.19219 203.8
[M+Na-2H]- 412.15301 196.8
[M]+ 391.17779 195.3
[M]- 391.17889 195.3
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.