CID 10519101

Lansamide 4

Structural Information

Molecular Formula
C19H21NO3
SMILES
CN1C(C(C(C(C1=O)O)C2=CC=CC=C2)C3=CC=CC=C3)OC
InChI
InChI=1S/C19H21NO3/c1-20-18(22)17(21)15(13-9-5-3-6-10-13)16(19(20)23-2)14-11-7-4-8-12-14/h3-12,15-17,19,21H,1-2H3
InChIKey
HGOXSQCBJLZRJO-UHFFFAOYSA-N
Compound name
3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15213 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 174.1
[M+Na]+ 334.14135 180.9
[M-H]- 310.14485 181.1
[M+NH4]+ 329.18595 186.6
[M+K]+ 350.11529 176.1
[M+H-H2O]+ 294.14939 164.6
[M+HCOO]- 356.15033 191.6
[M+CH3COO]- 370.16598 205.5
[M+Na-2H]- 332.12680 174.9
[M]+ 311.15158 172.1
[M]- 311.15268 172.1
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

No patent data available for this compound.