CID 2817011

2-(diethylamino)-n-(4-oxo-4h-thieno[3,4-c]chromen-3-yl)acetamide

Structural Information

Molecular Formula
C17H18N2O3S
SMILES
CCN(CC)CC(=O)NC1=C2C(=CS1)C3=CC=CC=C3OC2=O
InChI
InChI=1S/C17H18N2O3S/c1-3-19(4-2)9-14(20)18-16-15-12(10-23-16)11-7-5-6-8-13(11)22-17(15)21/h5-8,10H,3-4,9H2,1-2H3,(H,18,20)
InChIKey
WHJOKSDRDMWNHE-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

330.10382 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.111096 175.3
[M+Na]+ 353.093038 184.3
[M-H]- 329.096544 183.4
[M+NH4]+ 348.137643 192.8
[M+K]+ 369.066978 181.8
[M+H-H2O]+ 313.101080 168.7
[M+HCOO]- 375.102021 195.4
[M+CH3COO]- 389.117671 215.4
[M+Na-2H]- 351.078486 179.5
[M]+ 330.10327142 184.0
[M]- 330.10436858 184.0
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

No patent data available for this compound.