CID 106663

Einecs 265-980-6

Structural Information

Molecular Formula

C₁₅H₂₄N₂O₂

SMILES

CCCCC(C)NC1=C(C=CC(=C1)NC(=O)C)OC

InChI

InChI=1S/C15H24N2O2/c1-5-6-7-11(2)16-14-10-13(17-12(3)18)8-9-15(14)19-4/h8-11,16H,5-7H2,1-4H3,(H,17,18)

InChIKey

KDVBCMHDPJCRBL-UHFFFAOYSA-N

Compound name

N-[3-(hexan-2-ylamino)-4-methoxyphenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 264.18378 Da
Monoisotopic Mass: 3.4
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]+	265.191056	165.4
[M+Na]+	287.172998	170.0
[M-H]-	263.176504	168.6
[M+NH4]+	282.217603	181.7
[M+K]+	303.146938	168.1
[M+H-H2O]+	247.181040	158.0
[M+HCOO]-	309.181981	188.6
[M+CH3COO]-	323.197631	205.9
[M+Na-2H]-	285.158446	167.0
[M]+	264.18323142	167.5
[M]-	264.18432858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe