CID 95721

37033-95-7

Structural Information

Molecular Formula

C₁₈H₁₇NO₃

SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C18H17NO3/c1-2-21-18(20)17-11-14-10-15(8-9-16(14)19-17)22-12-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3

InChIKey

DCIFXYFKVKDOLL-UHFFFAOYSA-N

Compound name

ethyl 5-phenylmethoxy-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 264
Patents: 295.12085 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	296.12813	168.6
[M+Na]+	318.11007	182.8
[M+NH4]+	313.15467	176.3
[M+K]+	334.08401	176.9
[M-H]-	294.11357	171.8
[M+Na-2H]-	316.09552	176.3
[M]+	295.12030	171.5
[M]-	295.12140	171.5

Literature stripe

literature stripe

Patent stripe

patents stripe