CID 5281849

Rutacridone

Structural Information

Molecular Formula
C19H17NO3
SMILES
CC(=C)C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O
InChI
InChI=1S/C19H17NO3/c1-10(2)15-8-12-16(23-15)9-14(21)17-18(12)20(3)13-7-5-4-6-11(13)19(17)22/h4-7,9,15,21H,1,8H2,2-3H3
InChIKey
FHAGACMCMQYSNX-UHFFFAOYSA-N
Compound name
5-hydroxy-11-methyl-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]acridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

307.12085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 170.4
[M+Na]+ 330.11007 182.5
[M-H]- 306.11357 176.2
[M+NH4]+ 325.15467 187.7
[M+K]+ 346.08401 177.4
[M+H-H2O]+ 290.11811 163.7
[M+HCOO]- 352.11905 187.6
[M+CH3COO]- 366.13470 182.8
[M+Na-2H]- 328.09552 174.2
[M]+ 307.12030 174.7
[M]- 307.12140 174.7
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