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 171.0
[M+Na]+ 327.11376 176.0
[M-H]- 303.11726 176.8
[M+NH4]+ 322.15836 187.2
[M+K]+ 343.08770 171.4
[M+H-H2O]+ 287.12180 163.0
[M+HCOO]- 349.12274 191.3
[M+CH3COO]- 363.13839 205.4
[M+Na-2H]- 325.09921 171.0
[M]+ 304.12399 173.3
[M]- 304.12509 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