CID 3054927

1-(beta-(p-chlorphenylthiomethoxy)-2,4-dichlorphenaethyl-alpha-methyl)-imidazol-nitrat

Structural Information

Molecular Formula
C19H17Cl3N2OS
SMILES
CC(C(C1=C(C=C(C=C1)Cl)Cl)OCSC2=CC=C(C=C2)Cl)N3C=CN=C3
InChI
InChI=1S/C19H17Cl3N2OS/c1-13(24-9-8-23-11-24)19(17-7-4-15(21)10-18(17)22)25-12-26-16-5-2-14(20)3-6-16/h2-11,13,19H,12H2,1H3
InChIKey
XSAYDCISYIQXQC-UHFFFAOYSA-N
Compound name
1-[1-[(4-chlorophenyl)sulfanylmethoxy]-1-(2,4-dichlorophenyl)propan-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

426.01273 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.02001 191.3
[M+Na]+ 449.00195 200.1
[M-H]- 425.00545 197.0
[M+NH4]+ 444.04655 202.5
[M+K]+ 464.97589 192.7
[M+H-H2O]+ 409.00999 183.3
[M+HCOO]- 471.01093 191.8
[M+CH3COO]- 485.02658 200.0
[M+Na-2H]- 446.98740 187.4
[M]+ 426.01218 198.4
[M]- 426.01328 198.4
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

No patent data available for this compound.