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
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 166.3
[M+Na]+ 322.14135 173.4
[M-H]- 298.14485 173.2
[M+NH4]+ 317.18595 186.4
[M+K]+ 338.11529 171.0
[M+H-H2O]+ 282.14939 159.3
[M+HCOO]- 344.15033 178.8
[M+CH3COO]- 358.16598 177.4
[M+Na-2H]- 320.12680 169.5
[M]+ 299.15158 165.9
[M]- 299.15268 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.