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]+ 349.132876 181.7
[M+Na]+ 371.114818 188.4
[M-H]- 347.118324 189.7
[M+NH4]+ 366.159423 194.8
[M+K]+ 387.088758 188.1
[M+H-H2O]+ 331.122860 174.2
[M+HCOO]- 393.123801 198.6
[M+CH3COO]- 407.139451 216.2
[M+Na-2H]- 369.100266 182.2
[M]+ 348.12505142 188.7
[M]- 348.12614858 188.7
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.