CID 3076722

Brn 4257129

Structural Information

Molecular Formula
C13H24N4OS
SMILES
CCCCN(CCCC)CC(=O)NC1=NN=C(S1)C
InChI
InChI=1S/C13H24N4OS/c1-4-6-8-17(9-7-5-2)10-12(18)14-13-16-15-11(3)19-13/h4-10H2,1-3H3,(H,14,16,18)
InChIKey
PUXUJIUMCDMLPO-UHFFFAOYSA-N
Compound name
2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.16708 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17436 168.8
[M+Na]+ 307.15630 174.1
[M-H]- 283.15980 170.7
[M+NH4]+ 302.20090 184.6
[M+K]+ 323.13024 171.9
[M+H-H2O]+ 267.16434 160.0
[M+HCOO]- 329.16528 186.8
[M+CH3COO]- 343.18093 208.0
[M+Na-2H]- 305.14175 167.8
[M]+ 284.16653 174.2
[M]- 284.16763 174.2
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.