CID 514426

Schembl6159438

Structural Information

Molecular Formula
C20H22Cl2N4OS
SMILES
CC(C)N1C(=C(N(C1=O)C)CNCC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C20H22Cl2N4OS/c1-13(2)26-19(28-17-9-15(21)8-16(22)10-17)18(25(3)20(26)27)12-24-11-14-4-6-23-7-5-14/h4-10,13,24H,11-12H2,1-3H3
InChIKey
YNVAZPMOZJXYRH-UHFFFAOYSA-N
Compound name
4-(3,5-dichlorophenyl)sulfanyl-1-methyl-3-propan-2-yl-5-[(pyridin-4-ylmethylamino)methyl]imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

436.08914 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.09642 200.5
[M+Na]+ 459.07836 211.2
[M-H]- 435.08186 206.8
[M+NH4]+ 454.12296 210.3
[M+K]+ 475.05230 202.5
[M+H-H2O]+ 419.08640 191.5
[M+HCOO]- 481.08734 206.6
[M+CH3COO]- 495.10299 209.5
[M+Na-2H]- 457.06381 196.4
[M]+ 436.08859 208.5
[M]- 436.08969 208.5
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