CID 473911

178978-92-2

Structural Information

Molecular Formula
C14H17ClN2S
SMILES
CC1=NC(=C(N1C)SC2=CC(=CC=C2)Cl)C(C)C
InChI
InChI=1S/C14H17ClN2S/c1-9(2)13-14(17(4)10(3)16-13)18-12-7-5-6-11(15)8-12/h5-9H,1-4H3
InChIKey
URAVBJOMEZLKJX-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)sulfanyl-1,2-dimethyl-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

280.0801 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08738 161.9
[M+Na]+ 303.06932 173.2
[M-H]- 279.07282 167.2
[M+NH4]+ 298.11392 179.6
[M+K]+ 319.04326 167.3
[M+H-H2O]+ 263.07736 155.2
[M+HCOO]- 325.07830 173.8
[M+CH3COO]- 339.09395 200.1
[M+Na-2H]- 301.05477 159.7
[M]+ 280.07955 168.1
[M]- 280.08065 168.1
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