CID 3070432

86433-59-2

Structural Information

Molecular Formula
C26H29NO4
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC(C)CCN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C26H29NO4/c1-18(14-17-27-15-7-4-8-16-27)30-26(29)22-13-9-12-21-23(28)19(2)24(31-25(21)22)20-10-5-3-6-11-20/h3,5-6,9-13,18H,4,7-8,14-17H2,1-2H3
InChIKey
VZEMCYIKEZYCQP-UHFFFAOYSA-N
Compound name
4-piperidin-1-ylbutan-2-yl 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]+ 420.216936 203.9
[M+Na]+ 442.198878 207.8
[M-H]- 418.202384 212.3
[M+NH4]+ 437.243483 211.2
[M+K]+ 458.172818 204.1
[M+H-H2O]+ 402.206920 192.2
[M+HCOO]- 464.207861 217.3
[M+CH3COO]- 478.223511 228.0
[M+Na-2H]- 440.184326 203.3
[M]+ 419.20911142 204.0
[M]- 419.21020858 204.0
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