CID 821347

Dehydronuciferine

Structural Information

Molecular Formula
C19H19NO2
SMILES
CN1CCC2=CC(=C(C3=C2C1=CC4=CC=CC=C43)OC)OC
InChI
InChI=1S/C19H19NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,10-11H,8-9H2,1-3H3
InChIKey
JBGSWIBJAGBGOP-UHFFFAOYSA-N
Compound name
15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

96
Patents

293.14157 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14885 168.8
[M+Na]+ 316.13079 178.9
[M-H]- 292.13429 173.4
[M+NH4]+ 311.17539 186.7
[M+K]+ 332.10473 173.9
[M+H-H2O]+ 276.13883 159.8
[M+HCOO]- 338.13977 186.6
[M+CH3COO]- 352.15542 180.6
[M+Na-2H]- 314.11624 176.4
[M]+ 293.14102 173.7
[M]- 293.14212 173.7
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