CID 117752

N,n'-bis(4-aminophenyl)adipamide

Structural Information

Molecular Formula

C₁₈H₂₂N₄O₂

SMILES

C1=CC(=CC=C1N)NC(=O)CCCCC(=O)NC2=CC=C(C=C2)N

InChI

InChI=1S/C18H22N4O2/c19-13-5-9-15(10-6-13)21-17(23)3-1-2-4-18(24)22-16-11-7-14(20)8-12-16/h5-12H,1-4,19-20H2,(H,21,23)(H,22,24)

InChIKey

HVCRWARLEIATFU-UHFFFAOYSA-N

Compound name

N,N'-bis(4-aminophenyl)hexanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 326.1743 Da
Monoisotopic Mass: 1.2
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]+	327.181576	177.8
[M+Na]+	349.163518	180.9
[M-H]-	325.167024	183.0
[M+NH4]+	344.208123	189.6
[M+K]+	365.137458	176.9
[M+H-H2O]+	309.171560	168.4
[M+HCOO]-	371.172501	202.3
[M+CH3COO]-	385.188151	218.9
[M+Na-2H]-	347.148966	179.5
[M]+	326.17375142	174.2
[M]-	326.17484858	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe