CID 390099

Nsc687042

Structural Information

Molecular Formula
C16H23N3O2
SMILES
CC(C)(C)N=C1N(C(=O)ON1C(C)(C)C)C2=CC=CC=C2
InChI
InChI=1S/C16H23N3O2/c1-15(2,3)17-13-18(12-10-8-7-9-11-12)14(20)21-19(13)16(4,5)6/h7-11H,1-6H3
InChIKey
RUKMXSMDSWJZSU-UHFFFAOYSA-N
Compound name
2-tert-butyl-3-tert-butylimino-4-phenyl-1,2,4-oxadiazolidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.17902 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.18630 169.2
[M+Na]+ 312.16824 178.8
[M-H]- 288.17174 176.4
[M+NH4]+ 307.21284 183.9
[M+K]+ 328.14218 177.0
[M+H-H2O]+ 272.17628 161.6
[M+HCOO]- 334.17722 190.3
[M+CH3COO]- 348.19287 205.7
[M+Na-2H]- 310.15369 175.0
[M]+ 289.17847 174.0
[M]- 289.17957 174.0
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.