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]+ 267.07978 157.2
[M+Na]+ 289.06172 167.4
[M-H]- 265.06522 163.6
[M+NH4]+ 284.10632 175.0
[M+K]+ 305.03566 164.3
[M+H-H2O]+ 249.06976 150.1
[M+HCOO]- 311.07070 177.7
[M+CH3COO]- 325.08635 197.3
[M+Na-2H]- 287.04717 157.7
[M]+ 266.07195 163.4
[M]- 266.07305 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.