CID 207954

Erythraline, hydrobromide

Structural Information

Molecular Formula
C18H19NO3
SMILES
CO[C@@H]1CC23C(=CCN2CCC4=CC5=C(C=C34)OCO5)C=C1
InChI
InChI=1S/C18H19NO3/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/h2-3,5,8-9,14H,4,6-7,10-11H2,1H3/t14-,18?/m0/s1
InChIKey
TVOFUERNMZTYRM-PIVQAISJSA-N
Compound name
(19R)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

297.1365 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 167.2
[M+Na]+ 320.12572 180.0
[M+NH4]+ 315.17032 178.9
[M+K]+ 336.09966 174.7
[M-H]- 296.12922 173.3
[M+Na-2H]- 318.11117 170.2
[M]+ 297.13595 171.0
[M]- 297.13705 171.0
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.