CID 53718527

189063-59-0

Structural Information

Molecular Formula

C₁₅H₁₅NO₃

SMILES

COC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)N

InChI

InChI=1S/C15H15NO3/c1-18-15(17)13-8-7-12(9-14(13)16)19-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3

InChIKey

CFPPPMSEKZJZLF-UHFFFAOYSA-N

Compound name

methyl 2-amino-4-phenylmethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 257.1052 Da
Monoisotopic Mass: 3.1
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]+	258.112476	157.9
[M+Na]+	280.094418	164.9
[M-H]-	256.097924	164.3
[M+NH4]+	275.139023	174.1
[M+K]+	296.068358	162.1
[M+H-H2O]+	240.102460	150.0
[M+HCOO]-	302.103401	182.2
[M+CH3COO]-	316.119051	197.1
[M+Na-2H]-	278.079866	162.1
[M]+	257.10465142	159.2
[M]-	257.10574858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe