CID 3024545

Brn 5010817

Structural Information

Molecular Formula
C11H13NO2S
SMILES
COC1=CC(=CC(=C1)C2=NCCS2)OC
InChI
InChI=1S/C11H13NO2S/c1-13-9-5-8(6-10(7-9)14-2)11-12-3-4-15-11/h5-7H,3-4H2,1-2H3
InChIKey
RXLMACBVJYCNBP-UHFFFAOYSA-N
Compound name
2-(3,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.0667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.073976 147.1
[M+Na]+ 246.055918 156.3
[M-H]- 222.059424 153.2
[M+NH4]+ 241.100523 166.8
[M+K]+ 262.029858 153.7
[M+H-H2O]+ 206.063960 140.4
[M+HCOO]- 268.064901 166.1
[M+CH3COO]- 282.080551 186.0
[M+Na-2H]- 244.041366 148.7
[M]+ 223.06615142 151.1
[M]- 223.06724858 151.1
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.