CID 3038244

Brn 1167149

Structural Information

Molecular Formula
C20H21N3OS2
SMILES
C1COCCN1CN2C(=S)C(NC2=S)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H21N3OS2/c25-18-20(16-7-3-1-4-8-16,17-9-5-2-6-10-17)21-19(26)23(18)15-22-11-13-24-14-12-22/h1-10H,11-15H2,(H,21,26)
InChIKey
QVYXDGUCDAMORO-UHFFFAOYSA-N
Compound name
3-(morpholin-4-ylmethyl)-5,5-diphenylimidazolidine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1126 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.11988 186.1
[M+Na]+ 406.10182 193.3
[M-H]- 382.10532 193.1
[M+NH4]+ 401.14642 196.1
[M+K]+ 422.07576 185.9
[M+H-H2O]+ 366.10986 177.8
[M+HCOO]- 428.11080 190.3
[M+CH3COO]- 442.12645 194.0
[M+Na-2H]- 404.08727 183.4
[M]+ 383.11205 181.6
[M]- 383.11315 181.6
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.