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 168.8
[M+Na]+ 317.09304 180.5
[M+NH4]+ 312.13764 175.6
[M+K]+ 333.06698 174.7
[M-H]- 293.09654 170.5
[M+Na-2H]- 315.07849 173.1
[M]+ 294.10327 171.3
[M]- 294.10437 171.3
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.