CID 493252

206983-14-4

Structural Information

Molecular Formula

C₁₅H₁₄N₂S

SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C15H14N2S/c1-11-7-8-13-14(9-11)17-15(16-13)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)

InChIKey

VPPHIXQVOQZDPP-UHFFFAOYSA-N

Compound name

2-benzylsulfanyl-6-methyl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 254.08777 Da
Monoisotopic Mass: 4.2
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]+	255.09505	155.2
[M+Na]+	277.07699	166.4
[M-H]-	253.08049	159.9
[M+NH4]+	272.12159	173.0
[M+K]+	293.05093	159.5
[M+H-H2O]+	237.08503	148.0
[M+HCOO]-	299.08597	172.6
[M+CH3COO]-	313.10162	167.8
[M+Na-2H]-	275.06244	159.2
[M]+	254.08722	158.3
[M]-	254.08832	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe