CID 179640

Decarine

Structural Information

Molecular Formula
C19H13NO4
SMILES
COC1=C(C=CC2=C3C=CC4=CC5=C(C=C4C3=NC=C21)OCO5)O
InChI
InChI=1S/C19H13NO4/c1-22-19-14-8-20-18-12(11(14)4-5-15(19)21)3-2-10-6-16-17(7-13(10)18)24-9-23-16/h2-8,21H,9H2,1H3
InChIKey
GJJFWGQGJJGJEO-UHFFFAOYSA-N
Compound name
1-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

370
Patents

319.08447 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.09175 168.9
[M+Na]+ 342.07369 181.0
[M-H]- 318.07719 176.1
[M+NH4]+ 337.11829 184.7
[M+K]+ 358.04763 177.8
[M+H-H2O]+ 302.08173 161.1
[M+HCOO]- 364.08267 185.5
[M+CH3COO]- 378.09832 181.3
[M+Na-2H]- 340.05914 177.5
[M]+ 319.08392 175.3
[M]- 319.08502 175.3
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