CID 1860900

N-[2-(diethylamino)ethyl]-n'-(5-propyl-1,3,4-thiadiazol-2-yl)ethanediamide

Structural Information

Molecular Formula
C13H23N5O2S
SMILES
CCCC1=NN=C(S1)NC(=O)C(=O)NCCN(CC)CC
InChI
InChI=1S/C13H23N5O2S/c1-4-7-10-16-17-13(21-10)15-12(20)11(19)14-8-9-18(5-2)6-3/h4-9H2,1-3H3,(H,14,19)(H,15,17,20)
InChIKey
FNWCCJCZNDEQMH-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

313.15726 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16454 175.1
[M+Na]+ 336.14648 179.2
[M-H]- 312.14998 177.1
[M+NH4]+ 331.19108 189.1
[M+K]+ 352.12042 177.5
[M+H-H2O]+ 296.15452 165.9
[M+HCOO]- 358.15546 193.4
[M+CH3COO]- 372.17111 213.9
[M+Na-2H]- 334.13193 174.0
[M]+ 313.15671 179.6
[M]- 313.15781 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe