CID 162345293

Ns00133339

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC(C)C1(C(N(N(C1=O)C2=CC=CC=C2)C)CO)O
InChI
InChI=1S/C14H20N2O3/c1-10(2)14(19)12(9-17)15(3)16(13(14)18)11-7-5-4-6-8-11/h4-8,10,12,17,19H,9H2,1-3H3
InChIKey
LRFNKNHWPPPBBF-UHFFFAOYSA-N
Compound name
4-hydroxy-5-(hydroxymethyl)-1-methyl-2-phenyl-4-propan-2-ylpyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 160.4
[M+Na]+ 287.136618 168.4
[M-H]- 263.140124 162.4
[M+NH4]+ 282.181223 177.2
[M+K]+ 303.110558 165.1
[M+H-H2O]+ 247.144660 153.9
[M+HCOO]- 309.145601 176.9
[M+CH3COO]- 323.161251 193.4
[M+Na-2H]- 285.122066 160.5
[M]+ 264.14685142 159.7
[M]- 264.14794858 159.7
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

No patent data available for this compound.