CID 469049

Schembl9752587

Structural Information

Molecular Formula
C17H15N3
SMILES
C1CC2=NC(=C(N2C1)C3=CC=NC=C3)C4=CC=CC=C4
InChI
InChI=1S/C17H15N3/c1-2-5-13(6-3-1)16-17(14-8-10-18-11-9-14)20-12-4-7-15(20)19-16/h1-3,5-6,8-11H,4,7,12H2
InChIKey
NCXOWOMTGCSGHZ-UHFFFAOYSA-N
Compound name
2-phenyl-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

4
Patents

261.1266 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13388 159.6
[M+Na]+ 284.11582 168.3
[M-H]- 260.11932 166.7
[M+NH4]+ 279.16042 176.3
[M+K]+ 300.08976 162.5
[M+H-H2O]+ 244.12386 149.5
[M+HCOO]- 306.12480 180.3
[M+CH3COO]- 320.14045 171.5
[M+Na-2H]- 282.10127 162.6
[M]+ 261.12605 158.4
[M]- 261.12715 158.4
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.