CID 6447159

72578-17-7

Structural Information

Molecular Formula
C17H21N3O2S
SMILES
CC1=NN=C(S1)/C=C/C2=CC=CC=C2OCC(CNC3CC3)O
InChI
InChI=1S/C17H21N3O2S/c1-12-19-20-17(23-12)9-6-13-4-2-3-5-16(13)22-11-15(21)10-18-14-7-8-14/h2-6,9,14-15,18,21H,7-8,10-11H2,1H3/b9-6+
InChIKey
MLLNXSXBQSKHIH-RMKNXTFCSA-N
Compound name
1-(cyclopropylamino)-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

331.13544 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14272 178.3
[M+Na]+ 354.12466 190.1
[M+NH4]+ 349.16926 185.6
[M+K]+ 370.09860 184.8
[M-H]- 330.12816 188.4
[M+Na-2H]- 352.11011 186.6
[M]+ 331.13489 184.2
[M]- 331.13599 184.2
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.