CID 443719

Norchelerythrine

Structural Information

Molecular Formula
C20H15NO4
SMILES
COC1=C(C2=CN=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)OC
InChI
InChI=1S/C20H15NO4/c1-22-16-6-5-12-13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21-9-15(12)20(16)23-2/h3-9H,10H2,1-2H3
InChIKey
JGUNQXPMULKFNY-UHFFFAOYSA-N
Compound name
1,2-dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1113
References

15
Patents

333.1001 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10738 174.1
[M+Na]+ 356.08932 186.1
[M-H]- 332.09282 182.4
[M+NH4]+ 351.13392 190.0
[M+K]+ 372.06326 183.5
[M+H-H2O]+ 316.09736 165.7
[M+HCOO]- 378.09830 191.8
[M+CH3COO]- 392.11395 186.7
[M+Na-2H]- 354.07477 182.3
[M]+ 333.09955 182.4
[M]- 333.10065 182.4
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