CID 3000886

Ethambutol & teicoplanin

Structural Information

Molecular Formula

C₁₁H₂₆N₂O₂

SMILES

CC[C@@H](CO)NCCN(C)[C@@H](CC)CO

InChI

InChI=1S/C11H26N2O2/c1-4-10(8-14)12-6-7-13(3)11(5-2)9-15/h10-12,14-15H,4-9H2,1-3H3/t10-,11-/m0/s1

InChIKey

UIFWBSJONMEIPI-QWRGUYRKSA-N

Compound name

(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]-methylamino]ethylamino]butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 218.19943 Da
Monoisotopic Mass: 0.4
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]+	219.206706	158.0
[M+Na]+	241.188648	160.2
[M-H]-	217.192154	155.9
[M+NH4]+	236.233253	175.0
[M+K]+	257.162588	160.1
[M+H-H2O]+	201.196690	151.6
[M+HCOO]-	263.197631	178.1
[M+CH3COO]-	277.213281	196.1
[M+Na-2H]-	239.174096	158.3
[M]+	218.19888142	158.4
[M]-	218.19997858	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe