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

8
Patents

419.20966 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.216936 204.7
[M+Na]+ 442.198878 209.9
[M-H]- 418.202384 213.5
[M+NH4]+ 437.243483 212.5
[M+K]+ 458.172818 205.7
[M+H-H2O]+ 402.206920 193.0
[M+HCOO]- 464.207861 219.1
[M+CH3COO]- 478.223511 228.4
[M+Na-2H]- 440.184326 204.5
[M]+ 419.20911142 205.8
[M]- 419.21020858 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