CID 54275

Mcn-3935-46

Structural Information

Molecular Formula

C₁₆H₂₂N₄O

SMILES

CN1CCCC1=NC(=NC2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C16H22N4O/c1-19-9-5-8-15(19)18-16(20-10-12-21-13-11-20)17-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3

InChIKey

OPPLDIXFHYTSSR-UHFFFAOYSA-N

Compound name

N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 2375
Patents: 286.17935 Da
Monoisotopic Mass: 1.3
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]+	287.186626	169.1
[M+Na]+	309.168568	171.6
[M-H]-	285.172074	177.8
[M+NH4]+	304.213173	182.3
[M+K]+	325.142508	169.8
[M+H-H2O]+	269.176610	158.1
[M+HCOO]-	331.177551	188.9
[M+CH3COO]-	345.193201	179.0
[M+Na-2H]-	307.154016	171.3
[M]+	286.17880142	163.3
[M]-	286.17989858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe