CID 135497218

Pmi001

Structural Information

Molecular Formula
C18H26N2O2S
SMILES
CCOC1=NN=C(S1)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C18H26N2O2S/c1-8-22-16-20-19-15(23-16)11-9-12(17(2,3)4)14(21)13(10-11)18(5,6)7/h9-10,21H,8H2,1-7H3
InChIKey
RNZOILMUIJSTSY-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(5-ethoxy-1,3,4-thiadiazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

91
Patents

334.1715 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17878 185.0
[M+Na]+ 357.16072 196.3
[M+NH4]+ 352.20532 191.3
[M+K]+ 373.13466 191.0
[M-H]- 333.16422 186.0
[M+Na-2H]- 355.14617 189.4
[M]+ 334.17095 187.5
[M]- 334.17205 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe