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]+ 301.13288 170.1
[M+Na]+ 323.11482 174.5
[M-H]- 299.11832 172.0
[M+NH4]+ 318.15942 184.6
[M+K]+ 339.08876 173.6
[M+H-H2O]+ 283.12286 161.2
[M+HCOO]- 345.12380 188.1
[M+CH3COO]- 359.13945 207.3
[M+Na-2H]- 321.10027 169.7
[M]+ 300.12505 176.2
[M]- 300.12615 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.