CID 686401

N-[2-(1h-indol-3-yl)ethyl]thiophene-2-carboxamide

Structural Information

Molecular Formula
C15H14N2OS
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC=CS3
InChI
InChI=1S/C15H14N2OS/c18-15(14-6-3-9-19-14)16-8-7-11-10-17-13-5-2-1-4-12(11)13/h1-6,9-10,17H,7-8H2,(H,16,18)
InChIKey
XPABVAIADVEYBD-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

270.08267 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.089946 160.5
[M+Na]+ 293.071888 169.6
[M-H]- 269.075394 166.7
[M+NH4]+ 288.116493 180.0
[M+K]+ 309.045828 164.1
[M+H-H2O]+ 253.079930 154.2
[M+HCOO]- 315.080871 180.4
[M+CH3COO]- 329.096521 172.9
[M+Na-2H]- 291.057336 162.4
[M]+ 270.08212142 163.2
[M]- 270.08321858 163.2
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.