CID 3024546

96159-92-1

Structural Information

Molecular Formula
C12H15NO3S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NCCS2
InChI
InChI=1S/C12H15NO3S/c1-14-9-6-8(12-13-4-5-17-12)7-10(15-2)11(9)16-3/h6-7H,4-5H2,1-3H3
InChIKey
QXBQKBAGRFODPD-UHFFFAOYSA-N
Compound name
2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

253.07727 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08455 154.5
[M+Na]+ 276.06649 163.9
[M-H]- 252.06999 160.8
[M+NH4]+ 271.11109 173.2
[M+K]+ 292.04043 161.6
[M+H-H2O]+ 236.07453 147.7
[M+HCOO]- 298.07547 173.4
[M+CH3COO]- 312.09112 192.1
[M+Na-2H]- 274.05194 155.1
[M]+ 253.07672 160.7
[M]- 253.07782 160.7
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.