CID 3072298

Brn 4872039

Structural Information

Molecular Formula
C10H17N5OS
SMILES
CC1CN(CCN1CC(=O)N)C2=NN=C(S2)C
InChI
InChI=1S/C10H17N5OS/c1-7-5-15(10-13-12-8(2)17-10)4-3-14(7)6-9(11)16/h7H,3-6H2,1-2H3,(H2,11,16)
InChIKey
UJHUDNBLIONMIL-UHFFFAOYSA-N
Compound name
2-[2-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.11539 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12267 158.5
[M+Na]+ 278.10461 166.2
[M-H]- 254.10811 159.7
[M+NH4]+ 273.14921 172.2
[M+K]+ 294.07855 162.6
[M+H-H2O]+ 238.11265 149.9
[M+HCOO]- 300.11359 170.3
[M+CH3COO]- 314.12924 195.6
[M+Na-2H]- 276.09006 156.1
[M]+ 255.11484 156.8
[M]- 255.11594 156.8
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.