CID 514437

Schembl6158579

Structural Information

Molecular Formula
C20H21Cl2N3OS
SMILES
CCN1C(=C(N(C1=O)C(C)C)SC2=CC(=CC(=C2)Cl)Cl)CC3=CC=NC=C3
InChI
InChI=1S/C20H21Cl2N3OS/c1-4-24-18(9-14-5-7-23-8-6-14)19(25(13(2)3)20(24)26)27-17-11-15(21)10-16(22)12-17/h5-8,10-13H,4,9H2,1-3H3
InChIKey
IINNEAQBERGQNV-UHFFFAOYSA-N
Compound name
4-(3,5-dichlorophenyl)sulfanyl-1-ethyl-3-propan-2-yl-5-(pyridin-4-ylmethyl)imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

421.07825 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.08553 195.9
[M+Na]+ 444.06747 207.5
[M-H]- 420.07097 202.3
[M+NH4]+ 439.11207 206.7
[M+K]+ 460.04141 199.0
[M+H-H2O]+ 404.07551 187.0
[M+HCOO]- 466.07645 201.0
[M+CH3COO]- 480.09210 205.5
[M+Na-2H]- 442.05292 191.0
[M]+ 421.07770 204.4
[M]- 421.07880 204.4
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