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

4
Patents

199.07793 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.085206 143.1
[M+Na]+ 222.067148 151.5
[M-H]- 198.070654 144.6
[M+NH4]+ 217.111753 162.2
[M+K]+ 238.041088 149.2
[M+H-H2O]+ 182.075190 136.0
[M+HCOO]- 244.076131 161.4
[M+CH3COO]- 258.091781 184.8
[M+Na-2H]- 220.052596 144.5
[M]+ 199.07738142 146.3
[M]- 199.07847858 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