CID 3059514

76696-81-6

Structural Information

Molecular Formula
C19H18N2O
SMILES
C1C(CN2C1=NC(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H18N2O/c22-19-17(11-14-7-3-1-4-8-14)20-18-12-16(13-21(18)19)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKey
BIYLWFKMRBNJOH-UHFFFAOYSA-N
Compound name
2-benzyl-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1419 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.149176 168.7
[M+Na]+ 313.131118 176.6
[M-H]- 289.134624 176.9
[M+NH4]+ 308.175723 185.7
[M+K]+ 329.105058 170.7
[M+H-H2O]+ 273.139160 159.5
[M+HCOO]- 335.140101 189.0
[M+CH3COO]- 349.155751 180.2
[M+Na-2H]- 311.116566 169.1
[M]+ 290.14135142 167.3
[M]- 290.14244858 167.3
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.