CID 3038032

Brn 0628083

Structural Information

Molecular Formula
C20H21N3O2S
SMILES
C1COCCN1CN2C(=O)C(NC2=S)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H21N3O2S/c24-18-20(16-7-3-1-4-8-16,17-9-5-2-6-10-17)21-19(26)23(18)15-22-11-13-25-14-12-22/h1-10H,11-15H2,(H,21,26)
InChIKey
YCOPQHOQTBYDFP-UHFFFAOYSA-N
Compound name
3-(morpholin-4-ylmethyl)-5,5-diphenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.13544 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14272 186.5
[M+Na]+ 390.12466 192.7
[M-H]- 366.12816 193.9
[M+NH4]+ 385.16926 196.3
[M+K]+ 406.09860 186.8
[M+H-H2O]+ 350.13270 176.5
[M+HCOO]- 412.13364 195.3
[M+CH3COO]- 426.14929 194.6
[M+Na-2H]- 388.11011 184.8
[M]+ 367.13489 181.9
[M]- 367.13599 181.9
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.