CID 39724

Di-p-phenethylguanidine

Structural Information

Molecular Formula

C₁₇H₂₁N₃O₂

SMILES

CCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OCC)N

InChI

InChI=1S/C17H21N3O2/c1-3-21-15-9-5-13(6-10-15)19-17(18)20-14-7-11-16(12-8-14)22-4-2/h5-12H,3-4H2,1-2H3,(H3,18,19,20)

InChIKey

SKTJISGGWXVVBE-UHFFFAOYSA-N

Compound name

1,2-bis(4-ethoxyphenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 299.1634 Da
Monoisotopic Mass: 3.0
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]+	300.170676	170.9
[M+Na]+	322.152618	175.8
[M-H]-	298.156124	178.1
[M+NH4]+	317.197223	185.4
[M+K]+	338.126558	172.8
[M+H-H2O]+	282.160660	161.6
[M+HCOO]-	344.161601	197.8
[M+CH3COO]-	358.177251	213.1
[M+Na-2H]-	320.138066	175.3
[M]+	299.16285142	171.8
[M]-	299.16394858	171.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe