CID 216988

Brn 0755544

Structural Information

Molecular Formula
C20H18N2O
SMILES
COC1=CC=C(C=C1)C2=CN3C=CN(C3=C2)CC4=CC=CC=C4
InChI
InChI=1S/C20H18N2O/c1-23-19-9-7-17(8-10-19)18-13-20-21(11-12-22(20)15-18)14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3
InChIKey
XUHJAALRJWIVPL-UHFFFAOYSA-N
Compound name
1-benzyl-6-(4-methoxyphenyl)pyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1419 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14918 170.8
[M+Na]+ 325.13112 181.0
[M-H]- 301.13462 180.1
[M+NH4]+ 320.17572 187.7
[M+K]+ 341.10506 175.0
[M+H-H2O]+ 285.13916 161.6
[M+HCOO]- 347.14010 194.9
[M+CH3COO]- 361.15575 183.5
[M+Na-2H]- 323.11657 173.7
[M]+ 302.14135 174.8
[M]- 302.14245 174.8
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.