CID 22403

Sodium erythroidine 8

Structural Information

Molecular Formula
C16H19NO3
SMILES
CO[C@@H]1C[C@@]23C(=CCN2CCC4=C3C=C(OC4)O)C=C1
InChI
InChI=1S/C16H19NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,5,8,13,18H,4,6-7,9-10H2,1H3/t13-,16-/m0/s1
InChIKey
NZIPCGJCTUDACR-BBRMVZONSA-N
Compound name
(1S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),3,12,14-tetraen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1365 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 162.3
[M+Na]+ 296.12572 174.6
[M+NH4]+ 291.17032 173.1
[M+K]+ 312.09966 167.7
[M-H]- 272.12922 166.3
[M+Na-2H]- 294.11117 166.4
[M]+ 273.13595 165.3
[M]- 273.13705 165.3
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.