CID 135750

Terflavoxate

Structural Information

Molecular Formula
C26H29NO4
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC(C)(C)CN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C26H29NO4/c1-18-22(28)20-13-10-14-21(24(20)30-23(18)19-11-6-4-7-12-19)25(29)31-26(2,3)17-27-15-8-5-9-16-27/h4,6-7,10-14H,5,8-9,15-17H2,1-3H3
InChIKey
VQTYZZPDAFGNCK-UHFFFAOYSA-N
Compound name
(2-methyl-1-piperidin-1-ylpropan-2-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

220
Patents

419.20966 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.21694 203.8
[M+Na]+ 442.19888 208.4
[M-H]- 418.20238 212.4
[M+NH4]+ 437.24348 211.3
[M+K]+ 458.17282 204.8
[M+H-H2O]+ 402.20692 192.6
[M+HCOO]- 464.20786 216.6
[M+CH3COO]- 478.22351 227.6
[M+Na-2H]- 440.18433 205.4
[M]+ 419.20911 204.0
[M]- 419.21021 204.0
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