CID 3005828

2-imino-5-methoxy-8-methyl-6-oxo-pyrano[3,2-g]chromene-3-carbothioamide

Structural Information

Molecular Formula
C15H12N2O4S
SMILES
CC1=CC(=O)C2=C(O1)C=C3C(=C2OC)C=C(C(=N)O3)C(=S)N
InChI
InChI=1S/C15H12N2O4S/c1-6-3-9(18)12-11(20-6)5-10-7(13(12)19-2)4-8(15(17)22)14(16)21-10/h3-5,16H,1-2H3,(H2,17,22)
InChIKey
FLFSDXRIYJPSCO-UHFFFAOYSA-N
Compound name
2-imino-5-methoxy-8-methyl-6-oxopyrano[3,2-g]chromene-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0518 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05908 169.7
[M+Na]+ 339.04102 182.1
[M-H]- 315.04452 177.7
[M+NH4]+ 334.08562 184.1
[M+K]+ 355.01496 179.2
[M+H-H2O]+ 299.04906 162.5
[M+HCOO]- 361.05000 187.7
[M+CH3COO]- 375.06565 212.8
[M+Na-2H]- 337.02647 175.6
[M]+ 316.05125 177.0
[M]- 316.05235 177.0
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.