CID 51155

Brn 0557853

Structural Information

Molecular Formula
C14H18N2O3S
SMILES
CC1=NCCN1C(=S)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C14H18N2O3S/c1-9-15-5-6-16(9)14(20)10-7-11(17-2)13(19-4)12(8-10)18-3/h7-8H,5-6H2,1-4H3
InChIKey
BRFXSUBNRDKIBY-UHFFFAOYSA-N
Compound name
(2-methyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10382 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.111096 166.7
[M+Na]+ 317.093038 176.0
[M-H]- 293.096544 171.7
[M+NH4]+ 312.137643 182.5
[M+K]+ 333.066978 173.0
[M+H-H2O]+ 277.101080 159.2
[M+HCOO]- 339.102021 182.6
[M+CH3COO]- 353.117671 201.4
[M+Na-2H]- 315.078486 164.4
[M]+ 294.10327142 173.1
[M]- 294.10436858 173.1
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

No patent data available for this compound.