CID 16205663

4-morpholinecarbodithioic acid, (1-(2-naphthalenylmethyl)-1h-benzimidazol-2-yl)methyl ester

Structural Information

Molecular Formula
C24H23N3OS2
SMILES
C1COCCN1C(=S)SCC2=NC3=CC=CC=C3N2CC4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C24H23N3OS2/c29-24(26-11-13-28-14-12-26)30-17-23-25-21-7-3-4-8-22(21)27(23)16-18-9-10-19-5-1-2-6-20(19)15-18/h1-10,15H,11-14,16-17H2
InChIKey
QQTUZJRKRKERMX-UHFFFAOYSA-N
Compound name
[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl morpholine-4-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.12827 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.13555 194.2
[M+Na]+ 456.11749 210.2
[M+NH4]+ 451.16209 203.4
[M+K]+ 472.09143 198.6
[M-H]- 432.12099 202.1
[M+Na-2H]- 454.10294 202.1
[M]+ 433.12772 199.9
[M]- 433.12882 199.9
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.