CID 71594590

Methyl 10-methyl-4,11-dioxo-thieno[2,3-b]acridine-2-carboxylate

Structural Information

Molecular Formula
C18H11NO4S
SMILES
CC1=C2C(=NC3=CC=CC=C13)C(=O)C4=C(C2=O)SC(=C4)C(=O)OC
InChI
InChI=1S/C18H11NO4S/c1-8-9-5-3-4-6-11(9)19-14-13(8)16(21)17-10(15(14)20)7-12(24-17)18(22)23-2/h3-7H,1-2H3
InChIKey
GDVGGXASJLAPCH-UHFFFAOYSA-N
Compound name
methyl 10-methyl-4,11-dioxothieno[2,3-b]acridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0409 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.04818 174.4
[M+Na]+ 360.03012 187.2
[M-H]- 336.03362 181.0
[M+NH4]+ 355.07472 192.9
[M+K]+ 376.00406 182.2
[M+H-H2O]+ 320.03816 168.3
[M+HCOO]- 382.03910 189.9
[M+CH3COO]- 396.05475 187.0
[M+Na-2H]- 358.01557 177.2
[M]+ 337.04035 183.0
[M]- 337.04145 183.0
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.