CID 100916216

20-hydroxyrutacridone epoxide

Structural Information

Molecular Formula
C19H17NO5
SMILES
CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC(C4)C5(CO5)CO
InChI
InChI=1S/C19H17NO5/c1-20-12-5-3-2-4-10(12)18(23)16-13(22)7-14-11(17(16)20)6-15(25-14)19(8-21)9-24-19/h2-5,7,15,21-22H,6,8-9H2,1H3
InChIKey
OJJHKXKXZMBCHJ-UHFFFAOYSA-N
Compound name
5-hydroxy-2-[2-(hydroxymethyl)oxiran-2-yl]-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

339.1107 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 176.8
[M+Na]+ 362.09992 190.9
[M-H]- 338.10342 185.5
[M+NH4]+ 357.14452 187.8
[M+K]+ 378.07386 187.0
[M+H-H2O]+ 322.10796 170.3
[M+HCOO]- 384.10890 191.8
[M+CH3COO]- 398.12455 188.5
[M+Na-2H]- 360.08537 183.0
[M]+ 339.11015 185.6
[M]- 339.11125 185.6
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