CID 45571

Erythramine, hydrobromide

Structural Information

Molecular Formula

C₁₈H₂₁NO₃

SMILES

CO[C@H]1CC=C2CCN3C2(C1)C4=CC5=C(C=C4CC3)OCO5

InChI

InChI=1S/C18H21NO3/c1-20-14-3-2-13-5-7-19-6-4-12-8-16-17(22-11-21-16)9-15(12)18(13,19)10-14/h2,8-9,14H,3-7,10-11H2,1H3/t14-,18?/m0/s1

InChIKey

UGJWEDNGBKKYSX-PIVQAISJSA-N

Compound name

(19S)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,16-tetraene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 71
Patents: 299.15213 Da
Monoisotopic Mass: 2.2
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]+	300.159406	166.3
[M+Na]+	322.141348	173.4
[M-H]-	298.144854	173.2
[M+NH4]+	317.185953	186.4
[M+K]+	338.115288	171.0
[M+H-H2O]+	282.149390	159.3
[M+HCOO]-	344.150331	178.8
[M+CH3COO]-	358.165981	177.4
[M+Na-2H]-	320.126796	169.5
[M]+	299.15158142	165.9
[M]-	299.15267858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.