CID 4278270

354812-16-1

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
COC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)N)N
InChI
InChI=1S/C12H12N2O2S/c1-16-8-4-2-7(3-5-8)10-6-9(13)11(17-10)12(14)15/h2-6H,13H2,1H3,(H2,14,15)
InChIKey
OEUITKOCUWEFOB-UHFFFAOYSA-N
Compound name
3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

248.06195 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06923 153.9
[M+Na]+ 271.05117 162.4
[M-H]- 247.05467 160.7
[M+NH4]+ 266.09577 172.7
[M+K]+ 287.02511 158.4
[M+H-H2O]+ 231.05921 147.3
[M+HCOO]- 293.06015 174.8
[M+CH3COO]- 307.07580 195.9
[M+Na-2H]- 269.03662 153.5
[M]+ 248.06140 154.7
[M]- 248.06250 154.7
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