CID 11971397

N-(2-(diethylamino)ethyl)-n'-(1,3,4-thiadiazol-2-yl)succinamide

Structural Information

Molecular Formula
C12H21N5O2S
SMILES
CCN(CC)CCNC(=O)CCC(=O)NC1=NN=CS1
InChI
InChI=1S/C12H21N5O2S/c1-3-17(4-2)8-7-13-10(18)5-6-11(19)15-12-16-14-9-20-12/h9H,3-8H2,1-2H3,(H,13,18)(H,15,16,19)
InChIKey
FDJMBBANKKOOFS-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1416 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14888 170.0
[M+Na]+ 322.13082 173.7
[M-H]- 298.13432 171.8
[M+NH4]+ 317.17542 184.2
[M+K]+ 338.10476 172.2
[M+H-H2O]+ 282.13886 160.6
[M+HCOO]- 344.13980 188.7
[M+CH3COO]- 358.15545 210.4
[M+Na-2H]- 320.11627 170.2
[M]+ 299.14105 173.9
[M]- 299.14215 173.9
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.