CID 38845

13-methoxydihydronitidine

Structural Information

Molecular Formula
C22H21NO5
SMILES
CN1C(C2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC)OC
InChI
InChI=1S/C22H21NO5/c1-23-21-13(6-5-12-7-19-20(8-14(12)21)28-11-27-19)15-9-17(24-2)18(25-3)10-16(15)22(23)26-4/h5-10,22H,11H2,1-4H3
InChIKey
SZEOMBMBHCBJJE-UHFFFAOYSA-N
Compound name
2,3,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

379.14197 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14925 189.3
[M+Na]+ 402.13119 199.7
[M-H]- 378.13469 197.0
[M+NH4]+ 397.17579 203.5
[M+K]+ 418.10513 197.8
[M+H-H2O]+ 362.13923 180.7
[M+HCOO]- 424.14017 203.3
[M+CH3COO]- 438.15582 200.2
[M+Na-2H]- 400.11664 193.3
[M]+ 379.14142 197.5
[M]- 379.14252 197.5
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