CID 3076720

2-(dipropylamino)-n-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

Structural Information

Molecular Formula
C12H22N4OS
SMILES
CCCN(CCC)CC(=O)NC1=NN=C(S1)CC
InChI
InChI=1S/C12H22N4OS/c1-4-7-16(8-5-2)9-10(17)13-12-15-14-11(6-3)18-12/h4-9H2,1-3H3,(H,13,15,17)
InChIKey
VETLEZWMIFKCMA-UHFFFAOYSA-N
Compound name
2-(dipropylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.15143 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15871 164.5
[M+Na]+ 293.14065 170.2
[M-H]- 269.14415 166.6
[M+NH4]+ 288.18525 180.8
[M+K]+ 309.11459 168.2
[M+H-H2O]+ 253.14869 155.9
[M+HCOO]- 315.14963 182.8
[M+CH3COO]- 329.16528 205.1
[M+Na-2H]- 291.12610 164.0
[M]+ 270.15088 169.6
[M]- 270.15198 169.6
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.