CID 9905090

335242-75-6

Structural Information

Molecular Formula
C18H26N2OS
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=N2)CN
InChI
InChI=1S/C18H26N2OS/c1-17(2,3)12-7-11(14-10-22-15(9-19)20-14)8-13(16(12)21)18(4,5)6/h7-8,10,21H,9,19H2,1-6H3
InChIKey
HAQOEWGSBVQDHB-UHFFFAOYSA-N
Compound name
4-[2-(aminomethyl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

113
Patents

318.17657 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18385 179.1
[M+Na]+ 341.16579 187.3
[M-H]- 317.16929 183.6
[M+NH4]+ 336.21039 194.5
[M+K]+ 357.13973 182.1
[M+H-H2O]+ 301.17383 172.9
[M+HCOO]- 363.17477 192.5
[M+CH3COO]- 377.19042 208.2
[M+Na-2H]- 339.15124 178.0
[M]+ 318.17602 181.5
[M]- 318.17712 181.5
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

patents stripe