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

1
Patents

304.12454 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.131816 171.0
[M+Na]+ 327.113758 176.0
[M-H]- 303.117264 176.8
[M+NH4]+ 322.158363 187.2
[M+K]+ 343.087698 171.4
[M+H-H2O]+ 287.121800 163.0
[M+HCOO]- 349.122741 191.3
[M+CH3COO]- 363.138391 205.4
[M+Na-2H]- 325.099206 171.0
[M]+ 304.12399142 173.3
[M]- 304.12508858 173.3
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

patents stripe