CID 390098

Nsc687041

Structural Information

Molecular Formula
C16H23N3O2
SMILES
CC(C)(C)N1C(=O)N(N(C1=O)C(C)(C)C)C2=CC=CC=C2
InChI
InChI=1S/C16H23N3O2/c1-15(2,3)17-13(20)18(12-10-8-7-9-11-12)19(14(17)21)16(4,5)6/h7-11H,1-6H3
InChIKey
YFSFQHRQQABWMT-UHFFFAOYSA-N
Compound name
1,4-ditert-butyl-2-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.17902 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.18630 169.6
[M+Na]+ 312.16824 180.3
[M-H]- 288.17174 173.8
[M+NH4]+ 307.21284 184.0
[M+K]+ 328.14218 176.6
[M+H-H2O]+ 272.17628 162.0
[M+HCOO]- 334.17722 187.6
[M+CH3COO]- 348.19287 202.8
[M+Na-2H]- 310.15369 173.0
[M]+ 289.17847 173.5
[M]- 289.17957 173.5
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.