CID 31762

Dihydro-beta-erythroidine

Structural Information

Molecular Formula
C16H21NO3
SMILES
CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4
InChI
InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
InChIKey
ALSKYCOJJPXPFS-BBRMVZONSA-N
Compound name
(1S,16S)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),13-dien-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

416
References

569
Patents

275.15213 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 162.7
[M+Na]+ 298.14135 168.5
[M-H]- 274.14485 167.5
[M+NH4]+ 293.18595 182.3
[M+K]+ 314.11529 165.9
[M+H-H2O]+ 258.14939 155.0
[M+HCOO]- 320.15033 174.9
[M+CH3COO]- 334.16598 173.2
[M+Na-2H]- 296.12680 166.2
[M]+ 275.15158 159.3
[M]- 275.15268 159.3
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