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 197.3
[M+Na]+ 456.11749 206.2
[M-H]- 432.12099 204.6
[M+NH4]+ 451.16209 206.5
[M+K]+ 472.09143 198.7
[M+H-H2O]+ 416.12553 188.8
[M+HCOO]- 478.12647 202.9
[M+CH3COO]- 492.14212 205.4
[M+Na-2H]- 454.10294 197.5
[M]+ 433.12772 199.6
[M]- 433.12882 199.6
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.