CID 6475492

Pg-11047

Structural Information

Molecular Formula

C₁₄H₃₂N₄

SMILES

CCNCCCNC/C=C\CNCCCNCC

InChI

InChI=1S/C14H32N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h5-6,15-18H,3-4,7-14H2,1-2H3/b6-5-

InChIKey

XFWLTFZLLXVKDY-WAYWQWQTSA-N

Compound name

(Z)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 16
References: 180
Patents: 256.2627 Da
Monoisotopic Mass: 0.3
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]+	257.26998	167.1
[M+Na]+	279.25192	171.8
[M+NH4]+	274.29652	172.7
[M+K]+	295.22586	164.6
[M-H]-	255.25542	168.0
[M+Na-2H]-	277.23737	168.7
[M]+	256.26215	167.3
[M]-	256.26325	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe