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]+ 291.14918 168.7
[M+Na]+ 313.13112 176.6
[M-H]- 289.13462 176.9
[M+NH4]+ 308.17572 185.7
[M+K]+ 329.10506 170.7
[M+H-H2O]+ 273.13916 159.5
[M+HCOO]- 335.14010 189.0
[M+CH3COO]- 349.15575 180.2
[M+Na-2H]- 311.11657 169.1
[M]+ 290.14135 167.3
[M]- 290.14245 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.