CID 473993

5-(3,5-dichlorophenylthio)-4-isopropyl-1-methyl-2-methylamidinomethyl-1h-imidazole

Structural Information

Molecular Formula
C16H20Cl2N4S
SMILES
CC(C)C1=C(N(C(=N1)CN=C(C)N)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C16H20Cl2N4S/c1-9(2)15-16(22(4)14(21-15)8-20-10(3)19)23-13-6-11(17)5-12(18)7-13/h5-7,9H,8H2,1-4H3,(H2,19,20)
InChIKey
ZRZMUWCWXQQMDI-UHFFFAOYSA-N
Compound name
N'-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl]ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.07858 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.08586 186.9
[M+Na]+ 393.06780 196.6
[M-H]- 369.07130 192.2
[M+NH4]+ 388.11240 201.0
[M+K]+ 409.04174 189.4
[M+H-H2O]+ 353.07584 179.7
[M+HCOO]- 415.07678 194.8
[M+CH3COO]- 429.09243 222.1
[M+Na-2H]- 391.05325 181.9
[M]+ 370.07803 193.1
[M]- 370.07913 193.1
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