CID 213279

Propionamide, n-(5-propyl-1,3,4-thiadiazol-2-yl)-

Structural Information

Molecular Formula
C8H13N3OS
SMILES
CCCC1=NN=C(S1)NC(=O)CC
InChI
InChI=1S/C8H13N3OS/c1-3-5-7-10-11-8(13-7)9-6(12)4-2/h3-5H2,1-2H3,(H,9,11,12)
InChIKey
SHGYTYRIBFIAET-UHFFFAOYSA-N
Compound name
N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.07793 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08521 143.1
[M+Na]+ 222.06715 151.5
[M-H]- 198.07065 144.6
[M+NH4]+ 217.11175 162.2
[M+K]+ 238.04109 149.2
[M+H-H2O]+ 182.07519 136.0
[M+HCOO]- 244.07613 161.4
[M+CH3COO]- 258.09178 184.8
[M+Na-2H]- 220.05260 144.5
[M]+ 199.07738 146.3
[M]- 199.07848 146.3
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

patents stripe