CID 131751445

1-hydroxyrutacridone epoxide

Structural Information

Molecular Formula
C19H17NO5
SMILES
CC1(CO1)C2C(C3=C(O2)C=C(C4=C3N(C5=CC=CC=C5C4=O)C)O)O
InChI
InChI=1S/C19H17NO5/c1-19(8-24-19)18-17(23)14-12(25-18)7-11(21)13-15(14)20(2)10-6-4-3-5-9(10)16(13)22/h3-7,17-18,21,23H,8H2,1-2H3
InChIKey
JRMIBKXNMDYCPR-UHFFFAOYSA-N
Compound name
1,5-dihydroxy-11-methyl-2-(2-methyloxiran-2-yl)-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 179.8
[M+Na]+ 362.09992 197.5
[M+NH4]+ 357.14452 189.9
[M+K]+ 378.07386 192.3
[M-H]- 338.10342 193.0
[M+Na-2H]- 360.08537 186.8
[M]+ 339.11015 187.7
[M]- 339.11125 187.7
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