CID 84860

15270-08-3

Structural Information

Molecular Formula

C₁₅H₁₅NO₃

SMILES

COC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)OC)N

InChI

InChI=1S/C15H15NO3/c1-18-13-9-12(16)14(19-2)8-11(13)15(17)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3

InChIKey

XVRYJVBZYWBOFI-UHFFFAOYSA-N

Compound name

(4-amino-2,5-dimethoxyphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.1052 Da
Monoisotopic Mass: 2.5
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]+	258.11248	157.4
[M+Na]+	280.09442	165.3
[M-H]-	256.09792	164.3
[M+NH4]+	275.13902	173.8
[M+K]+	296.06836	162.5
[M+H-H2O]+	240.10246	149.7
[M+HCOO]-	302.10340	181.7
[M+CH3COO]-	316.11905	199.0
[M+Na-2H]-	278.07987	160.9
[M]+	257.10465	159.3
[M]-	257.10575	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe