CID 473915

178978-96-6

Structural Information

Molecular Formula
C14H14Cl2N2OS
SMILES
CC(C)C1=C(N(C(=N1)C=O)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H14Cl2N2OS/c1-8(2)13-14(18(3)12(7-19)17-13)20-11-5-9(15)4-10(16)6-11/h4-8H,1-3H3
InChIKey
OPOAUTYJCDFWIK-UHFFFAOYSA-N
Compound name
5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

328.0204 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.02768 170.2
[M+Na]+ 351.00962 182.4
[M-H]- 327.01312 175.1
[M+NH4]+ 346.05422 186.3
[M+K]+ 366.98356 175.5
[M+H-H2O]+ 311.01766 164.1
[M+HCOO]- 373.01860 177.2
[M+CH3COO]- 387.03425 206.6
[M+Na-2H]- 348.99507 166.8
[M]+ 328.01985 178.2
[M]- 328.02095 178.2
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