CID 3079249

Brn 4203717

Structural Information

Molecular Formula
C11H16N4O3S
SMILES
CCCC(=O)NNC(=O)CCC(=O)NC1=NC=CS1
InChI
InChI=1S/C11H16N4O3S/c1-2-3-9(17)14-15-10(18)5-4-8(16)13-11-12-6-7-19-11/h6-7H,2-5H2,1H3,(H,14,17)(H,15,18)(H,12,13,16)
InChIKey
SBFHXVFJPLELFD-UHFFFAOYSA-N
Compound name
4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0943 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10158 165.3
[M+Na]+ 307.08352 169.1
[M-H]- 283.08702 167.2
[M+NH4]+ 302.12812 180.6
[M+K]+ 323.05746 167.0
[M+H-H2O]+ 267.09156 156.9
[M+HCOO]- 329.09250 184.4
[M+CH3COO]- 343.10815 202.3
[M+Na-2H]- 305.06897 165.4
[M]+ 284.09375 166.8
[M]- 284.09485 166.8
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.