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

4
Patents

433.2253 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.232576 208.5
[M+Na]+ 456.214518 213.6
[M-H]- 432.218024 217.4
[M+NH4]+ 451.259123 215.8
[M+K]+ 472.188458 210.0
[M+H-H2O]+ 416.222560 197.3
[M+HCOO]- 478.223501 221.0
[M+CH3COO]- 492.239151 231.9
[M+Na-2H]- 454.199966 209.0
[M]+ 433.22475142 209.6
[M]- 433.22584858 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