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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.20671 158.0
[M+Na]+ 241.18865 160.2
[M-H]- 217.19215 155.9
[M+NH4]+ 236.23325 175.0
[M+K]+ 257.16259 160.1
[M+H-H2O]+ 201.19669 151.6
[M+HCOO]- 263.19763 178.1
[M+CH3COO]- 277.21328 196.1
[M+Na-2H]- 239.17410 158.3
[M]+ 218.19888 158.4
[M]- 218.19998 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe