CID 703965

4815-35-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

47
Patents

218.05139 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05867 146.1
[M+Na]+ 241.04061 154.5
[M-H]- 217.04411 152.8
[M+NH4]+ 236.08521 166.0
[M+K]+ 257.01455 150.1
[M+H-H2O]+ 201.04865 139.7
[M+HCOO]- 263.04959 167.2
[M+CH3COO]- 277.06524 189.6
[M+Na-2H]- 239.02606 146.7
[M]+ 218.05084 144.9
[M]- 218.05194 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.