CID 3042609

Brn 0819977

Structural Information

Molecular Formula
C20H17BrN2
SMILES
C1=CC=C(C=C1)CCN2C=CN3C2=CC(=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C20H17BrN2/c21-19-8-6-17(7-9-19)18-14-20-22(12-13-23(20)15-18)11-10-16-4-2-1-3-5-16/h1-9,12-15H,10-11H2
InChIKey
HTXFJXQIFQFCQF-UHFFFAOYSA-N
Compound name
6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.0575 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.06478 182.0
[M+Na]+ 387.04672 194.9
[M-H]- 363.05022 193.4
[M+NH4]+ 382.09132 200.3
[M+K]+ 403.02066 181.9
[M+H-H2O]+ 347.05476 180.2
[M+HCOO]- 409.05570 203.5
[M+CH3COO]- 423.07135 195.7
[M+Na-2H]- 385.03217 185.5
[M]+ 364.05695 202.9
[M]- 364.05805 202.9
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.