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]+ 295.11110 166.7
[M+Na]+ 317.09304 176.0
[M-H]- 293.09654 171.7
[M+NH4]+ 312.13764 182.5
[M+K]+ 333.06698 173.0
[M+H-H2O]+ 277.10108 159.2
[M+HCOO]- 339.10202 182.6
[M+CH3COO]- 353.11767 201.4
[M+Na-2H]- 315.07849 164.4
[M]+ 294.10327 173.1
[M]- 294.10437 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.