CID 3065355

Succinamic acid, n-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, 2-(diethylamino)ethyl ester

Structural Information

Molecular Formula
C15H26N4O3S
SMILES
CCN(CC)CCOC(=O)CCC(=O)NC1=NN=C(S1)C(C)C
InChI
InChI=1S/C15H26N4O3S/c1-5-19(6-2)9-10-22-13(21)8-7-12(20)16-15-18-17-14(23-15)11(3)4/h11H,5-10H2,1-4H3,(H,16,18,20)
InChIKey
BXUFTUOIOLHFFU-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.17258 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.17986 183.7
[M+Na]+ 365.16180 187.3
[M-H]- 341.16530 185.5
[M+NH4]+ 360.20640 196.7
[M+K]+ 381.13574 186.3
[M+H-H2O]+ 325.16984 174.7
[M+HCOO]- 387.17078 199.6
[M+CH3COO]- 401.18643 218.2
[M+Na-2H]- 363.14725 180.1
[M]+ 342.17203 190.6
[M]- 342.17313 190.6
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.