CID 5359043

61566-85-6

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CC(C)(C)C1C/C(=C/2\COC(=O)C2=O)/NN1C3=CC=CC=C3
InChI
InChI=1S/C17H20N2O3/c1-17(2,3)14-9-13(12-10-22-16(21)15(12)20)18-19(14)11-7-5-4-6-8-11/h4-8,14,18H,9-10H2,1-3H3/b13-12-
InChIKey
LRYGUBDFHLPFSH-SEYXRHQNSA-N
Compound name
(4Z)-4-(5-tert-butyl-1-phenylpyrazolidin-3-ylidene)oxolane-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1474 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.154676 171.8
[M+Na]+ 323.136618 178.5
[M-H]- 299.140124 178.5
[M+NH4]+ 318.181223 185.8
[M+K]+ 339.110558 174.9
[M+H-H2O]+ 283.144660 164.9
[M+HCOO]- 345.145601 186.9
[M+CH3COO]- 359.161251 198.9
[M+Na-2H]- 321.122066 169.8
[M]+ 300.14685142 168.2
[M]- 300.14794858 168.2
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.