CID 3074042

1-piperidinepropanamide, n-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-, monohydrochloride

Structural Information

Molecular Formula
C17H20N4O3S
SMILES
C1CCN(CC1)CCC(=O)NC2=NN=C(S2)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C17H20N4O3S/c22-15(6-9-21-7-2-1-3-8-21)18-17-20-19-16(25-17)12-4-5-13-14(10-12)24-11-23-13/h4-5,10H,1-3,6-9,11H2,(H,18,20,22)
InChIKey
GOUCWLMIZIXPBC-UHFFFAOYSA-N
Compound name
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1256 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13288 180.3
[M+Na]+ 383.11482 186.0
[M-H]- 359.11832 188.0
[M+NH4]+ 378.15942 190.7
[M+K]+ 399.08876 184.3
[M+H-H2O]+ 343.12286 172.3
[M+HCOO]- 405.12380 191.6
[M+CH3COO]- 419.13945 189.6
[M+Na-2H]- 381.10027 179.1
[M]+ 360.12505 181.1
[M]- 360.12615 181.1
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.