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

3
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 203.9
[M+Na]+ 442.19888 207.8
[M-H]- 418.20238 212.3
[M+NH4]+ 437.24348 211.2
[M+K]+ 458.17282 204.1
[M+H-H2O]+ 402.20692 192.2
[M+HCOO]- 464.20786 217.3
[M+CH3COO]- 478.22351 228.0
[M+Na-2H]- 440.18433 203.3
[M]+ 419.20911 204.0
[M]- 419.21021 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