CID 3074046

154663-30-6

Structural Information

Molecular Formula
C16H20N4O3S
SMILES
CCN(CC)CCC(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C16H20N4O3S/c1-3-20(4-2)8-7-14(21)17-16-19-18-15(24-16)11-5-6-12-13(9-11)23-10-22-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19,21)
InChIKey
CULTXFJLWFQCKJ-UHFFFAOYSA-N
Compound name
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(diethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1256 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13288 180.6
[M+Na]+ 371.11482 189.6
[M+NH4]+ 366.15942 187.0
[M+K]+ 387.08876 186.9
[M-H]- 347.11832 185.8
[M+Na-2H]- 369.10027 183.5
[M]+ 348.12505 183.5
[M]- 348.12615 183.5
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

No patent data available for this compound.