CID 3076719

Brn 4254227

Structural Information

Molecular Formula
C11H20N4OS
SMILES
CCCN(CCC)CC(=O)NC1=NN=C(S1)C
InChI
InChI=1S/C11H20N4OS/c1-4-6-15(7-5-2)8-10(16)12-11-14-13-9(3)17-11/h4-8H2,1-3H3,(H,12,14,16)
InChIKey
ZQVYSDKWBPRVLP-UHFFFAOYSA-N
Compound name
2-(dipropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.13577 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14305 160.2
[M+Na]+ 279.12499 166.3
[M-H]- 255.12849 162.5
[M+NH4]+ 274.16959 177.1
[M+K]+ 295.09893 164.6
[M+H-H2O]+ 239.13303 151.7
[M+HCOO]- 301.13397 178.8
[M+CH3COO]- 315.14962 202.1
[M+Na-2H]- 277.11044 160.1
[M]+ 256.13522 164.9
[M]- 256.13632 164.9
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.