CID 469050

Schembl9297972

Structural Information

Molecular Formula
C17H14BrN3
SMILES
C1CC2=NC(=C(N2C1)C3=CC=NC=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C17H14BrN3/c18-14-5-3-12(4-6-14)16-17(13-7-9-19-10-8-13)21-11-1-2-15(21)20-16/h3-10H,1-2,11H2
InChIKey
MIRAGIJGEINUOS-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

339.0371 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.04438 173.2
[M+Na]+ 362.02632 185.6
[M-H]- 338.02982 183.2
[M+NH4]+ 357.07092 191.1
[M+K]+ 378.00026 173.3
[M+H-H2O]+ 322.03436 171.2
[M+HCOO]- 384.03530 192.0
[M+CH3COO]- 398.05095 186.6
[M+Na-2H]- 360.01177 176.5
[M]+ 339.03655 191.2
[M]- 339.03765 191.2
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

patents stripe