CID 217195

4h-1-benzopyran-2-carboxamide, 4-thioxo-

Structural Information

Molecular Formula
C10H7NO2S
SMILES
C1=CC=C2C(=C1)C(=S)C=C(O2)C(=O)N
InChI
InChI=1S/C10H7NO2S/c11-10(12)8-5-9(14)6-3-1-2-4-7(6)13-8/h1-5H,(H2,11,12)
InChIKey
SVGLDLDMQMCMQQ-UHFFFAOYSA-N
Compound name
4-sulfanylidenechromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.01974 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.027016 138.7
[M+Na]+ 228.008958 148.7
[M-H]- 204.012464 144.3
[M+NH4]+ 223.053563 157.8
[M+K]+ 243.982898 145.7
[M+H-H2O]+ 188.017000 133.0
[M+HCOO]- 250.017941 157.0
[M+CH3COO]- 264.033591 185.4
[M+Na-2H]- 225.994406 144.5
[M]+ 205.01919142 140.6
[M]- 205.02028858 140.6
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.