CID 43548178

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide

Structural Information

Molecular Formula
C13H12N2O3S
SMILES
C1COC2=C(O1)C=C(C(=C2)NC(=O)C3=CC=CS3)N
InChI
InChI=1S/C13H12N2O3S/c14-8-6-10-11(18-4-3-17-10)7-9(8)15-13(16)12-2-1-5-19-12/h1-2,5-7H,3-4,14H2,(H,15,16)
InChIKey
WHNUKWTXUIXWLG-UHFFFAOYSA-N
Compound name
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.05685 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06413 158.8
[M+Na]+ 299.04607 165.9
[M-H]- 275.04957 167.4
[M+NH4]+ 294.09067 174.7
[M+K]+ 315.02001 164.4
[M+H-H2O]+ 259.05411 152.6
[M+HCOO]- 321.05505 175.9
[M+CH3COO]- 335.07070 170.9
[M+Na-2H]- 297.03152 162.7
[M]+ 276.05630 159.4
[M]- 276.05740 159.4
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.