CID 55873

Carbamodithioic acid, diethyl-, (1-(2-naphthalenylmethyl)-1h-benzimidazol-2-yl)methyl ester

Structural Information

Molecular Formula
C24H25N3S2
SMILES
CCN(CC)C(=S)SCC1=NC2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C24H25N3S2/c1-3-26(4-2)24(28)29-17-23-25-21-11-7-8-12-22(21)27(23)16-18-13-14-19-9-5-6-10-20(19)15-18/h5-15H,3-4,16-17H2,1-2H3
InChIKey
TXPUGUBKRVUDRI-UHFFFAOYSA-N
Compound name
[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.149 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.15628 195.1
[M+Na]+ 442.13822 209.9
[M+NH4]+ 437.18282 204.6
[M+K]+ 458.11216 197.9
[M-H]- 418.14172 201.4
[M+Na-2H]- 440.12367 203.1
[M]+ 419.14845 200.2
[M]- 419.14955 200.2
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.