CID 5315946

(+/-)-clausenamide

Structural Information

Molecular Formula
C18H19NO3
SMILES
CN1C(C(C(C1=O)O)C2=CC=CC=C2)C(C3=CC=CC=C3)O
InChI
InChI=1S/C18H19NO3/c1-19-15(16(20)13-10-6-3-7-11-13)14(17(21)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3
InChIKey
WGYGSZOQGYRGIP-UHFFFAOYSA-N
Compound name
3-hydroxy-5-[hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

297.1365 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.143776 169.2
[M+Na]+ 320.125718 175.7
[M-H]- 296.129224 175.4
[M+NH4]+ 315.170323 183.3
[M+K]+ 336.099658 170.7
[M+H-H2O]+ 280.133760 161.2
[M+HCOO]- 342.134701 187.0
[M+CH3COO]- 356.150351 199.1
[M+Na-2H]- 318.111166 168.1
[M]+ 297.13595142 166.4
[M]- 297.13704858 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe