CID 514427

Schembl7218251

Structural Information

Molecular Formula
C20H21Cl2N3O2S
SMILES
CC(C)N1C(=C(N(C1=O)C)COCC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C20H21Cl2N3O2S/c1-13(2)25-19(28-17-9-15(21)8-16(22)10-17)18(24(3)20(25)26)12-27-11-14-4-6-23-7-5-14/h4-10,13H,11-12H2,1-3H3
InChIKey
YPUORQINTIXSLZ-UHFFFAOYSA-N
Compound name
4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-(pyridin-4-ylmethoxymethyl)imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

437.07315 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.08043 198.5
[M+Na]+ 460.06237 209.9
[M-H]- 436.06587 205.0
[M+NH4]+ 455.10697 208.6
[M+K]+ 476.03631 202.0
[M+H-H2O]+ 420.07041 189.6
[M+HCOO]- 482.07135 203.9
[M+CH3COO]- 496.08700 208.0
[M+Na-2H]- 458.04782 193.9
[M]+ 437.07260 208.4
[M]- 437.07370 208.4
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