CID 5281850

Rutacridone epoxide

Structural Information

Molecular Formula
C19H17NO4
SMILES
CC1(CO1)C2CC3=C(O2)C=C(C4=C3N(C5=CC=CC=C5C4=O)C)O
InChI
InChI=1S/C19H17NO4/c1-19(9-23-19)15-7-11-14(24-15)8-13(21)16-17(11)20(2)12-6-4-3-5-10(12)18(16)22/h3-6,8,15,21H,7,9H2,1-2H3
InChIKey
YXQGLAPCZDYVLL-UHFFFAOYSA-N
Compound name
5-hydroxy-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

1
References

11
Patents

323.11575 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 174.9
[M+Na]+ 346.10497 189.6
[M-H]- 322.10847 184.9
[M+NH4]+ 341.14957 187.2
[M+K]+ 362.07891 186.0
[M+H-H2O]+ 306.11301 168.0
[M+HCOO]- 368.11395 191.3
[M+CH3COO]- 382.12960 187.4
[M+Na-2H]- 344.09042 181.0
[M]+ 323.11520 183.8
[M]- 323.11630 183.8
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