CID 46854650

Ethylpropionatethio-9-methyl-1,4-acridinedione

Structural Information

Molecular Formula
C19H17NO4S
SMILES
CCOC(=O)CCSC1=CC(=O)C2=NC3=CC=CC=C3C(=C2C1=O)C
InChI
InChI=1S/C19H17NO4S/c1-3-24-16(22)8-9-25-15-10-14(21)18-17(19(15)23)11(2)12-6-4-5-7-13(12)20-18/h4-7,10H,3,8-9H2,1-2H3
InChIKey
SAUJSAINPXKBFA-UHFFFAOYSA-N
Compound name
ethyl 3-(9-methyl-1,4-dioxoacridin-2-yl)sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.08783 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.09511 180.0
[M+Na]+ 378.07705 189.1
[M-H]- 354.08055 184.0
[M+NH4]+ 373.12165 194.5
[M+K]+ 394.05099 184.1
[M+H-H2O]+ 338.08509 172.2
[M+HCOO]- 400.08603 193.2
[M+CH3COO]- 414.10168 215.1
[M+Na-2H]- 376.06250 181.9
[M]+ 355.08728 187.2
[M]- 355.08838 187.2
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.