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]+ 356.095106 180.0
[M+Na]+ 378.077048 189.1
[M-H]- 354.080554 184.0
[M+NH4]+ 373.121653 194.5
[M+K]+ 394.050988 184.1
[M+H-H2O]+ 338.085090 172.2
[M+HCOO]- 400.086031 193.2
[M+CH3COO]- 414.101681 215.1
[M+Na-2H]- 376.062496 181.9
[M]+ 355.08728142 187.2
[M]- 355.08837858 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.