CID 617879

Erythratine

Structural Information

Molecular Formula
C18H21NO4
SMILES
COC1CC23C(=CC1O)CCN2CCC4=CC5=C(C=C34)OCO5
InChI
InChI=1S/C18H21NO4/c1-21-17-9-18-12(7-14(17)20)3-5-19(18)4-2-11-6-15-16(8-13(11)18)23-10-22-15/h6-8,14,17,20H,2-5,9-10H2,1H3
InChIKey
ZIAIDGYDHGYWBH-UHFFFAOYSA-N
Compound name
19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,16-tetraen-18-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

315.14706 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15434 171.7
[M+Na]+ 338.13628 182.8
[M+NH4]+ 333.18088 182.4
[M+K]+ 354.11022 178.8
[M-H]- 314.13978 176.6
[M+Na-2H]- 336.12173 172.6
[M]+ 315.14651 174.8
[M]- 315.14761 174.8
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