CID 85584195

Lansimide 3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.15213 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 173.4
[M+Na]+ 334.14135 179.9
[M-H]- 310.14485 180.7
[M+NH4]+ 329.18595 187.6
[M+K]+ 350.11529 175.5
[M+H-H2O]+ 294.14939 164.9
[M+HCOO]- 356.15033 192.3
[M+CH3COO]- 370.16598 204.4
[M+Na-2H]- 332.12680 172.2
[M]+ 311.15158 172.7
[M]- 311.15268 172.7
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