CID 5318563

Fararidine

Structural Information

Molecular Formula
C20H16NO4
SMILES
C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)O)C=CC4=CC5=C(C=C42)OCO5
InChI
InChI=1S/C20H15NO4/c1-21-9-15-12(5-6-16(22)20(15)23-2)13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21/h3-9H,10H2,1-2H3/p+1
InChIKey
TXASKRGBMHFMPT-UHFFFAOYSA-O
Compound name
1-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

75
Patents

334.10794 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11522 177.4
[M+Na]+ 357.09716 189.2
[M-H]- 333.10066 185.0
[M+NH4]+ 352.14176 192.5
[M+K]+ 373.07110 180.5
[M+H-H2O]+ 317.10520 172.0
[M+HCOO]- 379.10614 193.1
[M+CH3COO]- 393.12179 189.2
[M+Na-2H]- 355.08261 187.0
[M]+ 334.10739 183.3
[M]- 334.10849 183.3
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