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 159.0
[M+Na]+ 279.08862 164.9
[M-H]- 255.09212 160.2
[M+NH4]+ 274.13322 174.9
[M+K]+ 295.06256 163.0
[M+H-H2O]+ 239.09666 151.1
[M+HCOO]- 301.09760 175.8
[M+CH3COO]- 315.11325 198.1
[M+Na-2H]- 277.07407 158.1
[M]+ 256.09885 161.4
[M]- 256.09995 161.4
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.