CID 3065362

107811-27-8

Structural Information

Molecular Formula
C9H14N4O2S
SMILES
CC(C)NC(=O)CCC(=O)NC1=NN=CS1
InChI
InChI=1S/C9H14N4O2S/c1-6(2)11-7(14)3-4-8(15)12-9-13-10-5-16-9/h5-6H,3-4H2,1-2H3,(H,11,14)(H,12,13,15)
InChIKey
CSSYWLJETIHDEA-UHFFFAOYSA-N
Compound name
N'-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.08374 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09102 154.6
[M+Na]+ 265.07296 160.1
[M-H]- 241.07646 155.6
[M+NH4]+ 260.11756 170.8
[M+K]+ 281.04690 158.5
[M+H-H2O]+ 225.08100 146.5
[M+HCOO]- 287.08194 171.8
[M+CH3COO]- 301.09759 193.9
[M+Na-2H]- 263.05841 154.8
[M]+ 242.08319 156.3
[M]- 242.08429 156.3
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.