CID 473996

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

Structural Information

Molecular Formula
C15H19Cl2N3O2S2
SMILES
CC(C)C1=C(N(C(=N1)CNS(=O)(=O)C)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H19Cl2N3O2S2/c1-9(2)14-15(23-12-6-10(16)5-11(17)7-12)20(3)13(19-14)8-18-24(4,21)22/h5-7,9,18H,8H2,1-4H3
InChIKey
PPGOCABVMWLCNY-UHFFFAOYSA-N
Compound name
N-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

407.02957 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.03685 189.2
[M+Na]+ 430.01879 199.6
[M-H]- 406.02229 194.0
[M+NH4]+ 425.06339 201.9
[M+K]+ 445.99273 192.0
[M+H-H2O]+ 390.02683 183.7
[M+HCOO]- 452.02777 190.3
[M+CH3COO]- 466.04342 220.1
[M+Na-2H]- 428.00424 185.7
[M]+ 407.02902 197.4
[M]- 407.03012 197.4
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

patents stripe