CID 2121596

2-(thiophene-2-carbonyl)-1-benzofuran-3-amine

Structural Information

Molecular Formula
C13H9NO2S
SMILES
C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=CS3)N
InChI
InChI=1S/C13H9NO2S/c14-11-8-4-1-2-5-9(8)16-13(11)12(15)10-6-3-7-17-10/h1-7H,14H2
InChIKey
POWVVEYISURNNE-UHFFFAOYSA-N
Compound name
(3-amino-1-benzofuran-2-yl)-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

243.0354 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.042676 152.0
[M+Na]+ 266.024618 163.2
[M-H]- 242.028124 161.7
[M+NH4]+ 261.069223 173.3
[M+K]+ 281.998558 160.2
[M+H-H2O]+ 226.032660 147.3
[M+HCOO]- 288.033601 174.0
[M+CH3COO]- 302.049251 166.7
[M+Na-2H]- 264.010066 154.4
[M]+ 243.03485142 156.7
[M]- 243.03594858 156.7
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