CID 129858

Rs 84184

Structural Information

Molecular Formula

C₂₁H₂₆N₂S₂

SMILES

CCCSC(CN1C=CN=C1)(C2=CC3=CC=CC=C3C=C2)SCCC

InChI

InChI=1S/C21H26N2S2/c1-3-13-24-21(25-14-4-2,16-23-12-11-22-17-23)20-10-9-18-7-5-6-8-19(18)15-20/h5-12,15,17H,3-4,13-14,16H2,1-2H3

InChIKey

ULTTXWRPTOQRTN-UHFFFAOYSA-N

Compound name

1-[2-naphthalen-2-yl-2,2-bis(propylsulfanyl)ethyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 370.15375 Da
Monoisotopic Mass: 5.7
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]+	371.161026	187.9
[M+Na]+	393.142968	196.7
[M-H]-	369.146474	192.4
[M+NH4]+	388.187573	201.8
[M+K]+	409.116908	189.0
[M+H-H2O]+	353.151010	180.1
[M+HCOO]-	415.151951	198.0
[M+CH3COO]-	429.167601	197.5
[M+Na-2H]-	391.128416	189.0
[M]+	370.15320142	194.6
[M]-	370.15429858	194.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe