CID 14684532

2-(1h-indol-3-yl)-n-methoxy-n-methylacetamide

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CN(C(=O)CC1=CNC2=CC=CC=C21)OC
InChI
InChI=1S/C12H14N2O2/c1-14(16-2)12(15)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,7H2,1-2H3
InChIKey
AIHWIEBDIWCQCA-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-N-methoxy-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

218.10553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 147.4
[M+Na]+ 241.09475 155.5
[M-H]- 217.09825 151.1
[M+NH4]+ 236.13935 167.2
[M+K]+ 257.06869 153.4
[M+H-H2O]+ 201.10279 140.4
[M+HCOO]- 263.10373 171.4
[M+CH3COO]- 277.11938 190.3
[M+Na-2H]- 239.08020 153.0
[M]+ 218.10498 150.3
[M]- 218.10608 150.3
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