CID 30711

Brn 1166751

Structural Information

Molecular Formula
C21H23N3O2S
SMILES
CSC1=NC(C(=O)N1CN2CCOCC2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3O2S/c1-27-20-22-21(17-8-4-2-5-9-17,18-10-6-3-7-11-18)19(25)24(20)16-23-12-14-26-15-13-23/h2-11H,12-16H2,1H3
InChIKey
BRHXMUYKBFOAAE-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5,5-diphenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.1511 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15838 190.3
[M+Na]+ 404.14032 197.3
[M-H]- 380.14382 199.3
[M+NH4]+ 399.18492 200.5
[M+K]+ 420.11426 192.4
[M+H-H2O]+ 364.14836 179.6
[M+HCOO]- 426.14930 201.5
[M+CH3COO]- 440.16495 199.2
[M+Na-2H]- 402.12577 189.3
[M]+ 381.15055 189.6
[M]- 381.15165 189.6
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.