CID 454231

(1s,4as)-1-hydroxy-4,4a,5,11b-tetrahydro-1h-[1,3]dioxolo[4,5-j]phenanthridin-6-one

Structural Information

Molecular Formula
C14H13NO4
SMILES
C1C=C[C@@H](C2[C@H]1NC(=O)C3=CC4=C(C=C23)OCO4)O
InChI
InChI=1S/C14H13NO4/c16-10-3-1-2-9-13(10)7-4-11-12(19-6-18-11)5-8(7)14(17)15-9/h1,3-5,9-10,13,16H,2,6H2,(H,15,17)/t9-,10-,13?/m0/s1
InChIKey
FZTLUHRHGYKXGQ-UCBNGSGESA-N
Compound name
(1S,4aS)-1-hydroxy-4,4a,5,11b-tetrahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.08447 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09175 153.1
[M+Na]+ 282.07369 161.3
[M-H]- 258.07719 156.6
[M+NH4]+ 277.11829 169.5
[M+K]+ 298.04763 158.6
[M+H-H2O]+ 242.08173 147.0
[M+HCOO]- 304.08267 165.0
[M+CH3COO]- 318.09832 164.3
[M+Na-2H]- 280.05914 158.7
[M]+ 259.08392 150.9
[M]- 259.08502 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.