CID 122003

Schembl30057140

Structural Information

Molecular Formula

C₁₉H₂₅N₃

SMILES

CN(C)C1=CC=C(C2=CC=CC=C21)N=C(C3CCCCC3)N

InChI

InChI=1S/C19H25N3/c1-22(2)18-13-12-17(15-10-6-7-11-16(15)18)21-19(20)14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3,(H2,20,21)

InChIKey

QXXLWRXCRFAUQS-UHFFFAOYSA-N

Compound name

N'-[4-(dimethylamino)naphthalen-1-yl]cyclohexanecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 295.20483 Da
Monoisotopic Mass: 4.4
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]+	296.212106	170.7
[M+Na]+	318.194048	173.3
[M-H]-	294.197554	178.9
[M+NH4]+	313.238653	186.6
[M+K]+	334.167988	170.0
[M+H-H2O]+	278.202090	161.4
[M+HCOO]-	340.203031	192.4
[M+CH3COO]-	354.218681	217.5
[M+Na-2H]-	316.179496	173.6
[M]+	295.20428142	165.3
[M]-	295.20537858	165.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe