CID 102636

1505-93-7

Structural Information

Molecular Formula

C₁₇H₂₂N₂O

SMILES

CC(CCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)N

InChI

InChI=1S/C17H22N2O/c1-17(16(18)20,11-12-19(2)3)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,11-12H2,1-3H3,(H2,18,20)

InChIKey

QBLFYKYECNTDCF-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-2-methyl-2-naphthalen-1-ylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 270.17322 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]+	271.180496	165.3
[M+Na]+	293.162438	170.4
[M-H]-	269.165944	170.1
[M+NH4]+	288.207043	182.4
[M+K]+	309.136378	167.7
[M+H-H2O]+	253.170480	158.1
[M+HCOO]-	315.171421	186.8
[M+CH3COO]-	329.187071	209.0
[M+Na-2H]-	291.147886	170.2
[M]+	270.17267142	165.6
[M]-	270.17376858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe