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 165.1
[M+Na]+ 320.12572 173.3
[M-H]- 296.12922 172.5
[M+NH4]+ 315.17032 185.4
[M+K]+ 336.09966 170.8
[M+H-H2O]+ 280.13376 158.2
[M+HCOO]- 342.13470 179.1
[M+CH3COO]- 356.15035 176.8
[M+Na-2H]- 318.11117 169.3
[M]+ 297.13595 166.2
[M]- 297.13705 166.2
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.