CID 204826

Brn 1595274

Structural Information

Molecular Formula
C18H15N3O2
SMILES
C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCC#N)C3=CC=CC=C3
InChI
InChI=1S/C18H15N3O2/c19-12-7-13-21-16(22)18(20-17(21)23,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,13H2,(H,20,23)
InChIKey
GKPZCVFIWQLLDN-UHFFFAOYSA-N
Compound name
3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.11642 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12370 173.6
[M+Na]+ 328.10564 183.8
[M-H]- 304.10914 177.4
[M+NH4]+ 323.15024 186.4
[M+K]+ 344.07958 175.0
[M+H-H2O]+ 288.11368 157.5
[M+HCOO]- 350.11462 188.9
[M+CH3COO]- 364.13027 182.3
[M+Na-2H]- 326.09109 175.0
[M]+ 305.11587 166.1
[M]- 305.11697 166.1
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.