CID 474022

178980-03-5

Structural Information

Molecular Formula
C14H17Cl2N3OS
SMILES
CC(C)C1=C(N(C(=N1)CN)C)S(=O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H17Cl2N3OS/c1-8(2)13-14(19(3)12(7-17)18-13)21(20)11-5-9(15)4-10(16)6-11/h4-6,8H,7,17H2,1-3H3
InChIKey
YYUGTLIPNXPAAI-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfinyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

345.04694 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.05422 175.5
[M+Na]+ 368.03616 186.3
[M-H]- 344.03966 179.9
[M+NH4]+ 363.08076 190.3
[M+K]+ 384.01010 179.4
[M+H-H2O]+ 328.04420 169.4
[M+HCOO]- 390.04514 181.9
[M+CH3COO]- 404.06079 211.8
[M+Na-2H]- 366.02161 170.7
[M]+ 345.04639 181.4
[M]- 345.04749 181.4
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