CID 3073235

147528-33-4

Structural Information

Molecular Formula
C27H31NO4
SMILES
CC1CCCCN1CC(C)(C)OC(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4
InChI
InChI=1S/C27H31NO4/c1-18-11-8-9-16-28(18)17-27(3,4)32-26(30)22-15-10-14-21-23(29)19(2)24(31-25(21)22)20-12-6-5-7-13-20/h5-7,10,12-15,18H,8-9,11,16-17H2,1-4H3
InChIKey
QFOXCAYKFUIJRM-UHFFFAOYSA-N
Compound name
[2-methyl-1-(2-methylpiperidin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

433.2253 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.23258 208.5
[M+Na]+ 456.21452 213.6
[M-H]- 432.21802 217.4
[M+NH4]+ 451.25912 215.8
[M+K]+ 472.18846 210.0
[M+H-H2O]+ 416.22256 197.3
[M+HCOO]- 478.22350 221.0
[M+CH3COO]- 492.23915 231.9
[M+Na-2H]- 454.19997 209.0
[M]+ 433.22475 209.6
[M]- 433.22585 209.6
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

patents stripe