CID 7661699

3-(1h-indol-3-yl)-n-methylpropanamide

Structural Information

Molecular Formula
C12H14N2O
SMILES
CNC(=O)CCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C12H14N2O/c1-13-12(15)7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKey
YRFPBFOOZPGAAH-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

30
Patents

202.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 144.0
[M+Na]+ 225.09983 152.2
[M-H]- 201.10333 146.3
[M+NH4]+ 220.14443 163.9
[M+K]+ 241.07377 148.1
[M+H-H2O]+ 185.10787 137.4
[M+HCOO]- 247.10881 167.4
[M+CH3COO]- 261.12446 184.8
[M+Na-2H]- 223.08528 150.4
[M]+ 202.11006 144.4
[M]- 202.11116 144.4
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