CID 44244

Ppr 492

Structural Information

Molecular Formula

C₁₆H₂₇N₃O

SMILES

CCCOC1=CC=C(C=C1)C(=NCCN(CC)CC)N

InChI

InChI=1S/C16H27N3O/c1-4-13-20-15-9-7-14(8-10-15)16(17)18-11-12-19(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3,(H2,17,18)

InChIKey

NVSIZUWNEYZNQH-UHFFFAOYSA-N

Compound name

N'-[2-(diethylamino)ethyl]-4-propoxybenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.21542 Da
Monoisotopic Mass: 2.5
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]+	278.222696	170.9
[M+Na]+	300.204638	174.2
[M-H]-	276.208144	175.7
[M+NH4]+	295.249243	187.2
[M+K]+	316.178578	172.9
[M+H-H2O]+	260.212680	162.3
[M+HCOO]-	322.213621	196.9
[M+CH3COO]-	336.229271	215.2
[M+Na-2H]-	298.190086	172.8
[M]+	277.21487142	173.6
[M]-	277.21596858	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.