CID 514435

Schembl6158649

Structural Information

Molecular Formula
C24H20Cl2N2O2S
SMILES
CN1C(=C(N(C1=O)C2=CC=CC=C2)SC3=CC(=CC(=C3)Cl)Cl)COCC4=CC=CC=C4
InChI
InChI=1S/C24H20Cl2N2O2S/c1-27-22(16-30-15-17-8-4-2-5-9-17)23(31-21-13-18(25)12-19(26)14-21)28(24(27)29)20-10-6-3-7-11-20/h2-14H,15-16H2,1H3
InChIKey
RCIZIRLTPTXVOA-UHFFFAOYSA-N
Compound name
4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-phenyl-5-(phenylmethoxymethyl)imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

470.06226 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.06954 210.1
[M+Na]+ 493.05148 221.5
[M-H]- 469.05498 220.5
[M+NH4]+ 488.09608 219.6
[M+K]+ 509.02542 212.3
[M+H-H2O]+ 453.05952 200.1
[M+HCOO]- 515.06046 217.7
[M+CH3COO]- 529.07611 219.4
[M+Na-2H]- 491.03693 206.5
[M]+ 470.06171 219.1
[M]- 470.06281 219.1
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

patents stripe