CID 2735292

306935-13-7

Structural Information

Molecular Formula
C15H18N2OS
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)N)N
InChI
InChI=1S/C15H18N2OS/c1-15(2,3)10-6-4-9(5-7-10)12-8-11(16)13(19-12)14(17)18/h4-8H,16H2,1-3H3,(H2,17,18)
InChIKey
OGIKEMGUAQEZJE-UHFFFAOYSA-N
Compound name
3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

274.11398 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.121256 164.7
[M+Na]+ 297.103198 172.5
[M-H]- 273.106704 171.3
[M+NH4]+ 292.147803 182.7
[M+K]+ 313.077138 167.8
[M+H-H2O]+ 257.111240 158.4
[M+HCOO]- 319.112181 182.8
[M+CH3COO]- 333.127831 202.5
[M+Na-2H]- 295.088646 163.5
[M]+ 274.11343142 164.6
[M]- 274.11452858 164.6
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

No patent data available for this compound.