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]+ 279.14918 165.0
[M+Na]+ 301.13112 173.2
[M-H]- 277.13462 171.7
[M+NH4]+ 296.17572 182.2
[M+K]+ 317.10506 167.8
[M+H-H2O]+ 261.13916 156.6
[M+HCOO]- 323.14010 189.2
[M+CH3COO]- 337.15575 177.2
[M+Na-2H]- 299.11657 170.2
[M]+ 278.14135 167.1
[M]- 278.14245 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.