CID 3079245

Brn 4205954

Structural Information

Molecular Formula
C12H19N5O3S
SMILES
CCCC1=NN=C(S1)NC(=O)CCC(=O)NNC(=O)CC
InChI
InChI=1S/C12H19N5O3S/c1-3-5-11-16-17-12(21-11)13-9(19)6-7-10(20)15-14-8(18)4-2/h3-7H2,1-2H3,(H,14,18)(H,15,20)(H,13,17,19)
InChIKey
ANGFYVJXQXMSLH-UHFFFAOYSA-N
Compound name
4-oxo-4-(2-propanoylhydrazinyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.12085 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12813 172.7
[M+Na]+ 336.11007 176.9
[M-H]- 312.11357 173.6
[M+NH4]+ 331.15467 185.9
[M+K]+ 352.08401 174.6
[M+H-H2O]+ 296.11811 163.9
[M+HCOO]- 358.11905 190.3
[M+CH3COO]- 372.13470 209.2
[M+Na-2H]- 334.09552 171.9
[M]+ 313.12030 175.5
[M]- 313.12140 175.5
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.