CID 3065368

Succinamide, n-butyl-n'-(5-isopropyl-1,3,4-thiadiazol-2-yl)-

Structural Information

Molecular Formula
C13H22N4O2S
SMILES
CCCCNC(=O)CCC(=O)NC1=NN=C(S1)C(C)C
InChI
InChI=1S/C13H22N4O2S/c1-4-5-8-14-10(18)6-7-11(19)15-13-17-16-12(20-13)9(2)3/h9H,4-8H2,1-3H3,(H,14,18)(H,15,17,19)
InChIKey
KNCNDRYMMYRIPK-UHFFFAOYSA-N
Compound name
N-butyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.14636 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15364 171.8
[M+Na]+ 321.13558 177.5
[M+NH4]+ 316.18018 176.4
[M+K]+ 337.10952 173.7
[M-H]- 297.13908 170.8
[M+Na-2H]- 319.12103 172.9
[M]+ 298.14581 172.1
[M]- 298.14691 172.1
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.