CID 159756

Terephthalamidine

Structural Information

Molecular Formula

C₈H₁₀N₄

SMILES

C1=CC(=CC=C1C(=N)N)C(=N)N

InChI

InChI=1S/C8H10N4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H3,9,10)(H3,11,12)

InChIKey

UNMMLGAPDZGRJJ-UHFFFAOYSA-N

Compound name

benzene-1,4-dicarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 645
Patents: 162.09055 Da
Monoisotopic Mass: -0.8
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]+	163.09783	134.1
[M+Na]+	185.07977	139.6
[M-H]-	161.08327	137.2
[M+NH4]+	180.12437	152.8
[M+K]+	201.05371	137.0
[M+H-H2O]+	145.08781	127.5
[M+HCOO]-	207.08875	160.1
[M+CH3COO]-	221.10440	188.4
[M+Na-2H]-	183.06522	138.6
[M]+	162.09000	126.3
[M]-	162.09110	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe