CID 6447157

2-methyl-5-(2-(2-hydroxy-3-tert-butylaminopropoxy)styryl)-1,3,4-thiadiazol [german]

Structural Information

Molecular Formula
C18H25N3O2S
SMILES
CC1=NN=C(S1)/C=C/C2=CC=CC=C2OCC(CNC(C)(C)C)O
InChI
InChI=1S/C18H25N3O2S/c1-13-20-21-17(24-13)10-9-14-7-5-6-8-16(14)23-12-15(22)11-19-18(2,3)4/h5-10,15,19,22H,11-12H2,1-4H3/b10-9+
InChIKey
AVMJBLCPKGOCDZ-MDZDMXLPSA-N
Compound name
1-(tert-butylamino)-3-[2-[(E)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.16675 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17403 185.3
[M+Na]+ 370.15597 194.6
[M+NH4]+ 365.20057 190.9
[M+K]+ 386.12991 188.9
[M-H]- 346.15947 186.5
[M+Na-2H]- 368.14142 189.7
[M]+ 347.16620 187.2
[M]- 347.16730 187.2
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.