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]+ 276.170676 164.0
[M+Na]+ 298.152618 174.4
[M-H]- 274.156124 168.1
[M+NH4]+ 293.197223 178.8
[M+K]+ 314.126558 170.9
[M+H-H2O]+ 258.160660 156.0
[M+HCOO]- 320.161601 183.0
[M+CH3COO]- 334.177251 200.8
[M+Na-2H]- 296.138066 165.8
[M]+ 275.16285142 167.6
[M]- 275.16394858 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.