CID 3074834

1h-indole-1-acetamide, 2-methyl-n-(phenylmethyl)-

Structural Information

Molecular Formula
C18H18N2O
SMILES
CC1=CC2=CC=CC=C2N1CC(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C18H18N2O/c1-14-11-16-9-5-6-10-17(16)20(14)13-18(21)19-12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,19,21)
InChIKey
AZFFQXYCCZNTGP-UHFFFAOYSA-N
Compound name
N-benzyl-2-(2-methylindol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1419 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.149176 165.0
[M+Na]+ 301.131118 173.2
[M-H]- 277.134624 171.7
[M+NH4]+ 296.175723 182.2
[M+K]+ 317.105058 167.8
[M+H-H2O]+ 261.139160 156.6
[M+HCOO]- 323.140101 189.2
[M+CH3COO]- 337.155751 177.2
[M+Na-2H]- 299.116566 170.2
[M]+ 278.14135142 167.1
[M]- 278.14244858 167.1
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

No patent data available for this compound.