CID 13296464

Dtxsid201009112

Structural Information

Molecular Formula
C17H13N3O3
SMILES
CN1C(=O)N2C(=O)C(N2C1=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C17H13N3O3/c1-18-15(22)19-14(21)17(20(19)16(18)23,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey
JTRSZGDBFDNFQA-UHFFFAOYSA-N
Compound name
3-methyl-7,7-diphenyl-1,3,5-triazabicyclo[3.2.0]heptane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0957 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10298 167.2
[M+Na]+ 330.08492 178.8
[M-H]- 306.08842 175.3
[M+NH4]+ 325.12952 176.6
[M+K]+ 346.05886 176.3
[M+H-H2O]+ 290.09296 153.0
[M+HCOO]- 352.09390 187.6
[M+CH3COO]- 366.10955 179.3
[M+Na-2H]- 328.07037 171.5
[M]+ 307.09515 179.6
[M]- 307.09625 179.6
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.