CID 469051

Schembl7381635

Structural Information

Molecular Formula
C18H15N3O2
SMILES
COC1=CC=C(C=C1)C2=C(N3CCC(=O)C3=N2)C4=CC=NC=C4
InChI
InChI=1S/C18H15N3O2/c1-23-14-4-2-12(3-5-14)16-17(13-6-9-19-10-7-13)21-11-8-15(22)18(21)20-16/h2-7,9-10H,8,11H2,1H3
InChIKey
LUVCCOXBWHXXRM-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-3-pyridin-4-yl-5,6-dihydropyrrolo[1,2-a]imidazol-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

305.11642 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12370 170.5
[M+Na]+ 328.10564 180.5
[M-H]- 304.10914 178.4
[M+NH4]+ 323.15024 185.8
[M+K]+ 344.07958 175.1
[M+H-H2O]+ 288.11368 160.8
[M+HCOO]- 350.11462 191.4
[M+CH3COO]- 364.13027 182.4
[M+Na-2H]- 326.09109 171.7
[M]+ 305.11587 172.5
[M]- 305.11697 172.5
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