CID 588963

Ck-636

Structural Information

Molecular Formula
C16H16N2OS
SMILES
CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CC=CS3
InChI
InChI=1S/C16H16N2OS/c1-11-12(13-5-2-3-6-14(13)18-11)8-9-17-16(19)15-7-4-10-20-15/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKey
ACAKNPKRLPMONU-UHFFFAOYSA-N
Compound name
N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

15
Patents

284.09833 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10561 165.3
[M+Na]+ 307.08755 174.7
[M-H]- 283.09105 171.7
[M+NH4]+ 302.13215 184.5
[M+K]+ 323.06149 169.0
[M+H-H2O]+ 267.09559 159.1
[M+HCOO]- 329.09653 184.8
[M+CH3COO]- 343.11218 177.6
[M+Na-2H]- 305.07300 166.0
[M]+ 284.09778 168.7
[M]- 284.09888 168.7
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

patents stripe