CID 210995

22035-31-0

Structural Information

Molecular Formula
C12H14N2O3S
SMILES
COC1=CC(=C(C(=C1)OC)C2=CN=C(S2)N)OC
InChI
InChI=1S/C12H14N2O3S/c1-15-7-4-8(16-2)11(9(5-7)17-3)10-6-14-12(13)18-10/h4-6H,1-3H3,(H2,13,14)
InChIKey
SASYAMMSFSIVIL-UHFFFAOYSA-N
Compound name
5-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0725 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.079776 157.2
[M+Na]+ 289.061718 167.4
[M-H]- 265.065224 163.6
[M+NH4]+ 284.106323 175.0
[M+K]+ 305.035658 164.3
[M+H-H2O]+ 249.069760 150.1
[M+HCOO]- 311.070701 177.7
[M+CH3COO]- 325.086351 197.3
[M+Na-2H]- 287.047166 157.7
[M]+ 266.07195142 163.4
[M]- 266.07304858 163.4
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.