CID 469038

111908-95-3

Structural Information

Molecular Formula

C₁₈H₁₇N₃O

SMILES

COC1=CC=C(C=C1)C2=C(N3CCCC3=N2)C4=CC=NC=C4

InChI

InChI=1S/C18H17N3O/c1-22-15-6-4-13(5-7-15)17-18(14-8-10-19-11-9-14)21-12-2-3-16(21)20-17/h4-11H,2-3,12H2,1H3

InChIKey

UIJWMSUSZQORDJ-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 89
Patents: 291.13718 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.14446	167.7
[M+Na]+	314.12640	176.7
[M-H]-	290.12990	175.1
[M+NH4]+	309.17100	183.4
[M+K]+	330.10034	171.3
[M+H-H2O]+	274.13444	157.7
[M+HCOO]-	336.13538	188.2
[M+CH3COO]-	350.15103	179.3
[M+Na-2H]-	312.11185	169.6
[M]+	291.13663	168.6
[M]-	291.13773	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe