CID 474065

178980-79-5

Structural Information

Molecular Formula
C20H21Cl2N3OS
SMILES
CC(C)C1=C(N(C(=N1)CCO)CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C20H21Cl2N3OS/c1-13(2)19-20(27-17-10-15(21)9-16(22)11-17)25(18(24-19)5-8-26)12-14-3-6-23-7-4-14/h3-4,6-7,9-11,13,26H,5,8,12H2,1-2H3
InChIKey
RKMSFJYVGFUKKS-UHFFFAOYSA-N
Compound name
2-[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

421.07825 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.08553 194.8
[M+Na]+ 444.06747 204.9
[M-H]- 420.07097 199.5
[M+NH4]+ 439.11207 204.7
[M+K]+ 460.04141 196.2
[M+H-H2O]+ 404.07551 186.1
[M+HCOO]- 466.07645 198.4
[M+CH3COO]- 480.09210 203.5
[M+Na-2H]- 442.05292 190.5
[M]+ 421.07770 201.9
[M]- 421.07880 201.9
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