CID 3070420

86433-33-2

Structural Information

Molecular Formula
C26H29NO4
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4
InChI
InChI=1S/C26H29NO4/c1-18-10-6-7-15-27(18)16-9-17-30-26(29)22-14-8-13-21-23(28)19(2)24(31-25(21)22)20-11-4-3-5-12-20/h3-5,8,11-14,18H,6-7,9-10,15-17H2,1-2H3
InChIKey
VFLQCANTVVGZSX-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

419.20966 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.21694 204.7
[M+Na]+ 442.19888 209.9
[M-H]- 418.20238 213.5
[M+NH4]+ 437.24348 212.5
[M+K]+ 458.17282 205.7
[M+H-H2O]+ 402.20692 193.0
[M+HCOO]- 464.20786 219.1
[M+CH3COO]- 478.22351 228.4
[M+Na-2H]- 440.18433 204.5
[M]+ 419.20911 205.8
[M]- 419.21021 205.8
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