CID 58919

Methoxymethyl 3-benzyl-2-indolyl ketone

Structural Information

Molecular Formula
C18H17NO2
SMILES
COCC(=O)C1=C(C2=CC=CC=C2N1)CC3=CC=CC=C3
InChI
InChI=1S/C18H17NO2/c1-21-12-17(20)18-15(11-13-7-3-2-4-8-13)14-9-5-6-10-16(14)19-18/h2-10,19H,11-12H2,1H3
InChIKey
AEGFGVNUWOUJCM-UHFFFAOYSA-N
Compound name
1-(3-benzyl-1H-indol-2-yl)-2-methoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.133196 164.8
[M+Na]+ 302.115138 173.2
[M-H]- 278.118644 170.2
[M+NH4]+ 297.159743 181.5
[M+K]+ 318.089078 167.7
[M+H-H2O]+ 262.123180 156.8
[M+HCOO]- 324.124121 186.6
[M+CH3COO]- 338.139771 176.7
[M+Na-2H]- 300.100586 169.0
[M]+ 279.12537142 167.2
[M]- 279.12646858 167.2
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.