CID 5387508

Narciprimine

Structural Information

Molecular Formula
C14H9NO5
SMILES
C1OC2=C(O1)C(=C3C(=C2)C4=C(C(=CC=C4)O)NC3=O)O
InChI
InChI=1S/C14H9NO5/c16-8-3-1-2-6-7-4-9-13(20-5-19-9)12(17)10(7)14(18)15-11(6)8/h1-4,16-17H,5H2,(H,15,18)
InChIKey
PEOASDPEDCJOME-UHFFFAOYSA-N
Compound name
4,7-dihydroxy-5H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

38
Patents

271.04807 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05535 153.4
[M+Na]+ 294.03729 165.9
[M-H]- 270.04079 157.7
[M+NH4]+ 289.08189 169.2
[M+K]+ 310.01123 162.7
[M+H-H2O]+ 254.04533 147.6
[M+HCOO]- 316.04627 169.7
[M+CH3COO]- 330.06192 166.3
[M+Na-2H]- 292.02274 161.9
[M]+ 271.04752 157.2
[M]- 271.04862 157.2
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