CID 58373

101442-02-8

Structural Information

Molecular Formula

C₁₇H₁₅NO₂

SMILES

CC1=C(OC2=C(C1=O)C=C(C=C2)CN)C3=CC=CC=C3

InChI

InChI=1S/C17H15NO2/c1-11-16(19)14-9-12(10-18)7-8-15(14)20-17(11)13-5-3-2-4-6-13/h2-9H,10,18H2,1H3

InChIKey

VKOMSYJXGREGEQ-UHFFFAOYSA-N

Compound name

6-(aminomethyl)-3-methyl-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.1103 Da
Monoisotopic Mass: 2.8
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]+	266.117576	160.3
[M+Na]+	288.099518	170.3
[M-H]-	264.103024	169.0
[M+NH4]+	283.144123	176.4
[M+K]+	304.073458	166.2
[M+H-H2O]+	248.107560	152.3
[M+HCOO]-	310.108501	183.4
[M+CH3COO]-	324.124151	173.3
[M+Na-2H]-	286.084966	167.0
[M]+	265.10975142	161.8
[M]-	265.11084858	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe