CID 473909

178978-90-0

Structural Information

Molecular Formula
C14H16Cl2N2S
SMILES
CC1=NC(=C(N1C)SC2=CC(=CC(=C2)Cl)Cl)C(C)C
InChI
InChI=1S/C14H16Cl2N2S/c1-8(2)13-14(18(4)9(3)17-13)19-12-6-10(15)5-11(16)7-12/h5-8H,1-4H3
InChIKey
RFRFFCISKHQSNU-UHFFFAOYSA-N
Compound name
5-(3,5-dichlorophenyl)sulfanyl-1,2-dimethyl-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

314.04114 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04842 167.6
[M+Na]+ 337.03036 179.6
[M-H]- 313.03386 172.4
[M+NH4]+ 332.07496 184.4
[M+K]+ 353.00430 172.8
[M+H-H2O]+ 297.03840 161.5
[M+HCOO]- 359.03934 174.2
[M+CH3COO]- 373.05499 205.5
[M+Na-2H]- 335.01581 164.0
[M]+ 314.04059 174.8
[M]- 314.04169 174.8
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