CID 828049

2-imino-6-methoxy-2h-chromene-3-carbothioamide

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=S)N
InChI
InChI=1S/C11H10N2O2S/c1-14-7-2-3-9-6(4-7)5-8(11(13)16)10(12)15-9/h2-5,12H,1H3,(H2,13,16)
InChIKey
LUCOUNTXDLWPQS-UHFFFAOYSA-N
Compound name
2-imino-6-methoxychromene-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

234.0463 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05358 147.7
[M+Na]+ 257.03552 157.1
[M-H]- 233.03902 153.2
[M+NH4]+ 252.08012 165.4
[M+K]+ 273.00946 153.7
[M+H-H2O]+ 217.04356 141.4
[M+HCOO]- 279.04450 166.5
[M+CH3COO]- 293.06015 194.8
[M+Na-2H]- 255.02097 152.7
[M]+ 234.04575 149.5
[M]- 234.04685 149.5
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

patents stripe