CID 3079004

Benzenamine, n,n-dimethyl-2-(((1-(4-methoxyphenyl)-1h-imidazol-2-yl)thio)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C19H21N3OS
SMILES
CN(C)C1=CC=CC=C1CSC2=NC=CN2C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H21N3OS/c1-21(2)18-7-5-4-6-15(18)14-24-19-20-12-13-22(19)16-8-10-17(23-3)11-9-16/h4-13H,14H2,1-3H3
InChIKey
XESVHFJESWWPCN-UHFFFAOYSA-N
Compound name
2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

339.14053 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14781 179.8
[M+Na]+ 362.12975 194.3
[M+NH4]+ 357.17435 188.3
[M+K]+ 378.10369 185.7
[M-H]- 338.13325 186.4
[M+Na-2H]- 360.11520 189.7
[M]+ 339.13998 184.4
[M]- 339.14108 184.4
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