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 180.2
[M+Na]+ 362.12975 188.6
[M-H]- 338.13325 189.4
[M+NH4]+ 357.17435 194.0
[M+K]+ 378.10369 183.7
[M+H-H2O]+ 322.13779 170.4
[M+HCOO]- 384.13873 199.3
[M+CH3COO]- 398.15438 191.5
[M+Na-2H]- 360.11520 180.4
[M]+ 339.13998 185.8
[M]- 339.14108 185.8
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