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 171.9
[M+Na]+ 321.13558 176.5
[M-H]- 297.13908 172.6
[M+NH4]+ 316.18018 186.2
[M+K]+ 337.10952 173.9
[M+H-H2O]+ 281.14362 163.5
[M+HCOO]- 343.14456 187.8
[M+CH3COO]- 357.16021 207.0
[M+Na-2H]- 319.12103 169.6
[M]+ 298.14581 175.4
[M]- 298.14691 175.4
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.