CID 3072293

Brn 4867603

Structural Information

Molecular Formula
C10H18N4OS
SMILES
CCCCN(C)CC(=O)NC1=NN=C(S1)C
InChI
InChI=1S/C10H18N4OS/c1-4-5-6-14(3)7-9(15)11-10-13-12-8(2)16-10/h4-7H2,1-3H3,(H,11,13,15)
InChIKey
OSZMKGSLIJAHIQ-UHFFFAOYSA-N
Compound name
2-[butyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12013 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.12741 155.8
[M+Na]+ 265.10935 162.4
[M-H]- 241.11285 158.3
[M+NH4]+ 260.15395 173.3
[M+K]+ 281.08329 160.9
[M+H-H2O]+ 225.11739 147.6
[M+HCOO]- 287.11833 174.8
[M+CH3COO]- 301.13398 199.1
[M+Na-2H]- 263.09480 156.2
[M]+ 242.11958 160.2
[M]- 242.12068 160.2
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.