CID 3065349

Succinamic acid, n-(1,3,4-thiadiazol-2-yl)-, 2-(diethylamino)ethyl ester

Structural Information

Molecular Formula
C12H20N4O3S
SMILES
CCN(CC)CCOC(=O)CCC(=O)NC1=NN=CS1
InChI
InChI=1S/C12H20N4O3S/c1-3-16(4-2)7-8-19-11(18)6-5-10(17)14-12-15-13-9-20-12/h9H,3-8H2,1-2H3,(H,14,15,17)
InChIKey
NTGHEJDZMXUBHJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1256 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.132876 170.1
[M+Na]+ 323.114818 174.5
[M-H]- 299.118324 172.0
[M+NH4]+ 318.159423 184.6
[M+K]+ 339.088758 173.6
[M+H-H2O]+ 283.122860 161.2
[M+HCOO]- 345.123801 188.1
[M+CH3COO]- 359.139451 207.3
[M+Na-2H]- 321.100266 169.7
[M]+ 300.12505142 176.2
[M]- 300.12614858 176.2
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.