CID 2703

Chelerythrine

Structural Information

Molecular Formula
C21H18NO4
SMILES
C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5
InChI
InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
InChIKey
LLEJIEBFSOEYIV-UHFFFAOYSA-N
Compound name
1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1871
References

3263
Patents

348.1236 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13088 178.2
[M+Na]+ 371.11282 198.4
[M+NH4]+ 366.15742 189.1
[M+K]+ 387.08676 192.2
[M-H]- 347.11632 187.1
[M+Na-2H]- 369.09827 183.7
[M]+ 348.12305 184.5
[M]- 348.12415 184.5
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