CID 207898

N-(p-(2-(diethylamino)ethoxy)phenyl)-n'-phenyl-benzamidine oxalate

Structural Information

Molecular Formula

C₂₅H₂₉N₃O

SMILES

CCN(CC)CCOC1=CC=C(C=C1)N=C(C2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O/c1-3-28(4-2)19-20-29-24-17-15-23(16-18-24)27-25(21-11-7-5-8-12-21)26-22-13-9-6-10-14-22/h5-18H,3-4,19-20H2,1-2H3,(H,26,27)

InChIKey

ZANIXEJAIMUJOP-UHFFFAOYSA-N

Compound name

N'-[4-[2-(diethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 387.23105 Da
Monoisotopic Mass: 5.3
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]+	388.238326	197.4
[M+Na]+	410.220268	199.2
[M-H]-	386.223774	208.0
[M+NH4]+	405.264873	208.1
[M+K]+	426.194208	194.9
[M+H-H2O]+	370.228310	185.6
[M+HCOO]-	432.229251	223.5
[M+CH3COO]-	446.244901	233.2
[M+Na-2H]-	408.205716	201.1
[M]+	387.23050142	198.7
[M]-	387.23159858	198.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.