CID 3065364

107811-30-3

Structural Information

Molecular Formula
C10H16N4O2S
SMILES
CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NC
InChI
InChI=1S/C10H16N4O2S/c1-6(2)9-13-14-10(17-9)12-8(16)5-4-7(15)11-3/h6H,4-5H2,1-3H3,(H,11,15)(H,12,14,16)
InChIKey
YQAXJUIBAFWYRQ-UHFFFAOYSA-N
Compound name
N-methyl-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

256.0994 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10668 159.1
[M+Na]+ 279.08862 165.5
[M+NH4]+ 274.13322 164.3
[M+K]+ 295.06256 162.4
[M-H]- 255.09212 158.3
[M+Na-2H]- 277.07407 161.0
[M]+ 256.09885 159.6
[M]- 256.09995 159.6
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.