CID 11820795

Acetic acid, (pyrazinyloxy)-, [(2z)-3-butyl-4-oxo-2-thiazolidinylidene]hydrazide

Structural Information

Molecular Formula
C13H17N5O3S
SMILES
CCCCN\1C(=O)CS/C1=N\NC(=O)COC2=NC=CN=C2
InChI
InChI=1S/C13H17N5O3S/c1-2-3-6-18-12(20)9-22-13(18)17-16-10(19)8-21-11-7-14-4-5-15-11/h4-5,7H,2-3,6,8-9H2,1H3,(H,16,19)/b17-13-
InChIKey
NCCLJHSFLRLNSG-LGMDPLHJSA-N
Compound name
N-[(Z)-(3-butyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.10522 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.11250 172.5
[M+Na]+ 346.09444 178.6
[M-H]- 322.09794 176.4
[M+NH4]+ 341.13904 184.8
[M+K]+ 362.06838 175.3
[M+H-H2O]+ 306.10248 162.8
[M+HCOO]- 368.10342 189.9
[M+CH3COO]- 382.11907 209.4
[M+Na-2H]- 344.07989 173.1
[M]+ 323.10467 175.5
[M]- 323.10577 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

literature stripe

Patent stripe

No patent data available for this compound.