CID 923761

Akos003790466

Structural Information

Molecular Formula
C19H16N2S
SMILES
CC1=CC2=C(C=C1)N=C(N2)SCC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H16N2S/c1-13-9-10-17-18(11-13)21-19(20-17)22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11H,12H2,1H3,(H,20,21)
InChIKey
DGYWBWZGDATENB-UHFFFAOYSA-N
Compound name
6-methyl-2-(naphthalen-1-ylmethylsulfanyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.10342 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11070 169.0
[M+Na]+ 327.09264 180.5
[M-H]- 303.09614 174.5
[M+NH4]+ 322.13724 185.6
[M+K]+ 343.06658 172.3
[M+H-H2O]+ 287.10068 161.3
[M+HCOO]- 349.10162 184.7
[M+CH3COO]- 363.11727 180.7
[M+Na-2H]- 325.07809 173.3
[M]+ 304.10287 172.6
[M]- 304.10397 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.