CID 24840214

88797-57-3

Structural Information

Molecular Formula
C20H21N3O3S2
SMILES
C1COCCN1C(=S)SCC2=NC3=CC=CC=C3N2CC4=C(C=CC(=C4)O)O
InChI
InChI=1S/C20H21N3O3S2/c24-15-5-6-18(25)14(11-15)12-23-17-4-2-1-3-16(17)21-19(23)13-28-20(27)22-7-9-26-10-8-22/h1-6,11,24-25H,7-10,12-13H2
InChIKey
OIROXQVUDOBQPD-UHFFFAOYSA-N
Compound name
[1-[(2,5-dihydroxyphenyl)methyl]benzimidazol-2-yl]methyl morpholine-4-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.10245 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.10973 191.5
[M+Na]+ 438.09167 199.9
[M-H]- 414.09517 196.2
[M+NH4]+ 433.13627 199.3
[M+K]+ 454.06561 193.0
[M+H-H2O]+ 398.09971 184.3
[M+HCOO]- 460.10065 195.9
[M+CH3COO]- 474.11630 199.4
[M+Na-2H]- 436.07712 190.0
[M]+ 415.10190 193.5
[M]- 415.10300 193.5
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.