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]+ 280.13320 164.8
[M+Na]+ 302.11514 173.2
[M-H]- 278.11864 170.2
[M+NH4]+ 297.15974 181.5
[M+K]+ 318.08908 167.7
[M+H-H2O]+ 262.12318 156.8
[M+HCOO]- 324.12412 186.6
[M+CH3COO]- 338.13977 176.7
[M+Na-2H]- 300.10059 169.0
[M]+ 279.12537 167.2
[M]- 279.12647 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.