CID 2756534

3-amino-5-phenylthiophene-2-carboxamide

Structural Information

Molecular Formula
C11H10N2OS
SMILES
C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)N)N
InChI
InChI=1S/C11H10N2OS/c12-8-6-9(15-10(8)11(13)14)7-4-2-1-3-5-7/h1-6H,12H2,(H2,13,14)
InChIKey
DYRYDYQWWQHRQE-UHFFFAOYSA-N
Compound name
3-amino-5-phenylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

37
Patents

218.05139 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.058666 146.1
[M+Na]+ 241.040608 154.5
[M-H]- 217.044114 152.8
[M+NH4]+ 236.085213 166.0
[M+K]+ 257.014548 150.1
[M+H-H2O]+ 201.048650 139.7
[M+HCOO]- 263.049591 167.2
[M+CH3COO]- 277.065241 189.6
[M+Na-2H]- 239.026056 146.7
[M]+ 218.05084142 144.9
[M]- 218.05193858 144.9
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