CID 216987

1-benzyl-6-phenyl-1h-pyrrolo[1,2-a]imidazole

Structural Information

Molecular Formula
C19H16N2
SMILES
C1=CC=C(C=C1)CN2C=CN3C2=CC(=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H16N2/c1-3-7-16(8-4-1)14-20-11-12-21-15-18(13-19(20)21)17-9-5-2-6-10-17/h1-13,15H,14H2
InChIKey
GNROKZDXOFDMGG-UHFFFAOYSA-N
Compound name
1-benzyl-6-phenylpyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.13135 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13863 162.6
[M+Na]+ 295.12057 172.5
[M-H]- 271.12407 171.6
[M+NH4]+ 290.16517 180.5
[M+K]+ 311.09451 166.1
[M+H-H2O]+ 255.12861 153.4
[M+HCOO]- 317.12955 186.8
[M+CH3COO]- 331.14520 175.5
[M+Na-2H]- 293.10602 166.7
[M]+ 272.13080 164.5
[M]- 272.13190 164.5
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.