CID 3073237

147528-34-5

Structural Information

Molecular Formula
C30H29NO4
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC(CN3CCCCC3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H29NO4/c1-21-27(32)24-16-11-17-25(29(24)35-28(21)23-14-7-3-8-15-23)30(33)34-26(22-12-5-2-6-13-22)20-31-18-9-4-10-19-31/h2-3,5-8,11-17,26H,4,9-10,18-20H2,1H3
InChIKey
RCHXUFKGCSQRAC-UHFFFAOYSA-N
Compound name
(1-phenyl-2-piperidin-1-ylethyl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

467.20966 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.21694 216.2
[M+Na]+ 490.19888 219.3
[M-H]- 466.20238 227.1
[M+NH4]+ 485.24348 220.5
[M+K]+ 506.17282 214.6
[M+H-H2O]+ 450.20692 202.6
[M+HCOO]- 512.20786 229.0
[M+CH3COO]- 526.22351 222.5
[M+Na-2H]- 488.18433 215.5
[M]+ 467.20911 214.4
[M]- 467.21021 214.4
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