CID 473973

178979-54-9

Structural Information

Molecular Formula
C18H22Cl2N2O3S
SMILES
CC(C)C1=C(N=C(N1C)COCCOC(=O)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C18H22Cl2N2O3S/c1-11(2)17-18(26-15-8-13(19)7-14(20)9-15)21-16(22(17)4)10-24-5-6-25-12(3)23/h7-9,11H,5-6,10H2,1-4H3
InChIKey
JAUJCBDAUOLHCA-UHFFFAOYSA-N
Compound name
2-[[4-(3,5-dichlorophenyl)sulfanyl-1-methyl-5-propan-2-ylimidazol-2-yl]methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.0728 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.08008 192.3
[M+Na]+ 439.06202 201.9
[M-H]- 415.06552 196.8
[M+NH4]+ 434.10662 204.7
[M+K]+ 455.03596 196.0
[M+H-H2O]+ 399.07006 185.6
[M+HCOO]- 461.07100 197.6
[M+CH3COO]- 475.08665 222.2
[M+Na-2H]- 437.04747 186.6
[M]+ 416.07225 203.9
[M]- 416.07335 203.9
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

No patent data available for this compound.