CID 213731

26975-70-2

Structural Information

Molecular Formula
C15H13N3O
SMILES
C1=CC=C(C=C1)C2(C(=O)NC(=N2)N)C3=CC=CC=C3
InChI
InChI=1S/C15H13N3O/c16-14-17-13(19)15(18-14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19)
InChIKey
KMAGLUVYQQBXIR-UHFFFAOYSA-N
Compound name
2-amino-4,4-diphenyl-1H-imidazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

14
Patents

251.10587 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11315 156.1
[M+Na]+ 274.09509 164.5
[M-H]- 250.09859 162.1
[M+NH4]+ 269.13969 172.6
[M+K]+ 290.06903 158.5
[M+H-H2O]+ 234.10313 147.2
[M+HCOO]- 296.10407 177.7
[M+CH3COO]- 310.11972 167.8
[M+Na-2H]- 272.08054 161.2
[M]+ 251.10532 151.8
[M]- 251.10642 151.8
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