CID 390094

Nsc687037

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CC(C)N1C(=O)N(N(C1=O)C(C)(C)C)C2=CC=CC=C2
InChI
InChI=1S/C15H21N3O2/c1-11(2)16-13(19)17(12-9-7-6-8-10-12)18(14(16)20)15(3,4)5/h6-11H,1-5H3
InChIKey
SRDMSMDMQUROHM-UHFFFAOYSA-N
Compound name
1-tert-butyl-2-phenyl-4-propan-2-yl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1634 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17068 164.0
[M+Na]+ 298.15262 174.4
[M-H]- 274.15612 168.1
[M+NH4]+ 293.19722 178.8
[M+K]+ 314.12656 170.9
[M+H-H2O]+ 258.16066 156.0
[M+HCOO]- 320.16160 183.0
[M+CH3COO]- 334.17725 200.8
[M+Na-2H]- 296.13807 165.8
[M]+ 275.16285 167.6
[M]- 275.16395 167.6
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.