CID 3040684

52840-65-0

Structural Information

Molecular Formula

C₁₇H₂₃N₃O₂

SMILES

CCN(CC)C(=O)[C@H]1CC[C@H]2N1C(=O)N(C2)C3=CC=CC=C3

InChI

InChI=1S/C17H23N3O2/c1-3-18(4-2)16(21)15-11-10-14-12-19(17(22)20(14)15)13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3/t14-,15-/m1/s1

InChIKey

PRXHNUONAYDIQT-HUUCEWRRSA-N

Compound name

(5R,7aR)-N,N-diethyl-3-oxo-2-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.17902 Da
Monoisotopic Mass: 1.9
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]+	302.186296	173.4
[M+Na]+	324.168238	178.7
[M-H]-	300.171744	179.3
[M+NH4]+	319.212843	190.5
[M+K]+	340.142178	176.1
[M+H-H2O]+	284.176280	165.0
[M+HCOO]-	346.177221	192.4
[M+CH3COO]-	360.192871	209.4
[M+Na-2H]-	322.153686	171.1
[M]+	301.17847142	173.1
[M]-	301.17956858	173.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.