CID 119707

27737-55-9

Structural Information

Molecular Formula

C₁₈H₁₇NO₃

SMILES

CCOC(=O)C1=CC2=C(N1)C=CC=C2OCC3=CC=CC=C3

InChI

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

InChIKey

HIQPISGKBJHKIN-UHFFFAOYSA-N

Compound name

ethyl 4-phenylmethoxy-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 92
Patents: 295.12085 Da
Monoisotopic Mass: 4.1
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]+	296.128126	168.1
[M+Na]+	318.110068	176.4
[M-H]-	294.113574	173.5
[M+NH4]+	313.154673	184.1
[M+K]+	334.084008	171.5
[M+H-H2O]+	278.118110	159.9
[M+HCOO]-	340.119051	190.1
[M+CH3COO]-	354.134701	199.2
[M+Na-2H]-	316.095516	172.3
[M]+	295.12030142	171.8
[M]-	295.12139858	171.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe