CID 3063788

2-thiophenecarboxamide, n-(5-(p-aminophenoxy)pentyl)-

Structural Information

Molecular Formula
C16H20N2O2S
SMILES
C1=CSC(=C1)C(=O)NCCCCCOC2=CC=C(C=C2)N
InChI
InChI=1S/C16H20N2O2S/c17-13-6-8-14(9-7-13)20-11-3-1-2-10-18-16(19)15-5-4-12-21-15/h4-9,12H,1-3,10-11,17H2,(H,18,19)
InChIKey
LKMIJRGJJPTZJN-UHFFFAOYSA-N
Compound name
N-[5-(4-aminophenoxy)pentyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.12454 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13182 171.7
[M+Na]+ 327.11376 180.7
[M+NH4]+ 322.15836 179.2
[M+K]+ 343.08770 173.8
[M-H]- 303.11726 175.7
[M+Na-2H]- 325.09921 177.6
[M]+ 304.12399 174.3
[M]- 304.12509 174.3
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.