CID 47194

64058-87-3

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

CCCN=C(C(C1=CC=CC=C1)OCC)N

InChI

InChI=1S/C13H20N2O/c1-3-10-15-13(14)12(16-4-2)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H2,14,15)

InChIKey

HABIPVRVOBTUPR-UHFFFAOYSA-N

Compound name

2-ethoxy-2-phenyl-N'-propylethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.15756 Da
Monoisotopic Mass: 2.1
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]+	221.16484	153.9
[M+Na]+	243.14678	158.0
[M-H]-	219.15028	157.6
[M+NH4]+	238.19138	171.8
[M+K]+	259.12072	156.5
[M+H-H2O]+	203.15482	146.4
[M+HCOO]-	265.15576	178.4
[M+CH3COO]-	279.17141	197.3
[M+Na-2H]-	241.13223	157.3
[M]+	220.15701	153.9
[M]-	220.15811	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe