CID 86567101

Treamid

Structural Information

Molecular Formula

C₁₅H₂₂N₆O₂

SMILES

C1=CN=C(N1)CCNC(=O)CCCC(=O)NCCC2=NC=CN2

InChI

InChI=1S/C15H22N6O2/c22-14(20-6-4-12-16-8-9-17-12)2-1-3-15(23)21-7-5-13-18-10-11-19-13/h8-11H,1-7H2,(H,16,17)(H,18,19)(H,20,22)(H,21,23)

InChIKey

RIHNPJLBFJQNRE-UHFFFAOYSA-N

Compound name

N,N'-bis[2-(1H-imidazol-2-yl)ethyl]pentanediamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 35
Patents: 318.18042 Da
Monoisotopic Mass: -0.7
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]+	319.18770	172.3
[M+Na]+	341.16964	176.0
[M-H]-	317.17314	171.4
[M+NH4]+	336.21424	182.2
[M+K]+	357.14358	171.6
[M+H-H2O]+	301.17768	161.4
[M+HCOO]-	363.17862	192.0
[M+CH3COO]-	377.19427	203.8
[M+Na-2H]-	339.15509	174.1
[M]+	318.17987	171.6
[M]-	318.18097	171.6

Literature stripe

literature stripe

Patent stripe

patents stripe