CID 159477

Fpp 129

Structural Information

Molecular Formula

C₁₅H₁₄N₂O

SMILES

CCN1C=CC(=O)N2C1=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H14N2O/c1-2-16-9-8-15(18)17-11-13(10-14(16)17)12-6-4-3-5-7-12/h3-11H,2H2,1H3

InChIKey

XPOMIEQGRUAZPP-UHFFFAOYSA-N

Compound name

1-ethyl-7-phenylpyrrolo[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 238.11061 Da
Monoisotopic Mass: 2.9
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]+	239.11789	152.1
[M+Na]+	261.09983	163.8
[M-H]-	237.10333	158.2
[M+NH4]+	256.14443	170.4
[M+K]+	277.07377	158.4
[M+H-H2O]+	221.10787	143.7
[M+HCOO]-	283.10881	175.9
[M+CH3COO]-	297.12446	165.9
[M+Na-2H]-	259.08528	158.7
[M]+	238.11006	155.4
[M]-	238.11116	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe