CID 21237

5157-15-3

Structural Information

Molecular Formula
C16H14N4O2
SMILES
C1=CC=C(C=C1)C23C(NC(=O)N2)(NC(=O)N3)C4=CC=CC=C4
InChI
InChI=1S/C16H14N4O2/c21-13-17-15(11-7-3-1-4-8-11)16(19-13,20-14(22)18-15)12-9-5-2-6-10-12/h1-10H,(H2,17,19,21)(H2,18,20,22)
InChIKey
WUDVGTHXCLJVJN-UHFFFAOYSA-N
Compound name
3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

53
Patents

294.11166 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11894 167.4
[M+Na]+ 317.10088 178.0
[M+NH4]+ 312.14548 175.7
[M+K]+ 333.07482 172.6
[M-H]- 293.10438 168.2
[M+Na-2H]- 315.08633 174.9
[M]+ 294.11111 169.0
[M]- 294.11221 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe