CID 11820797

N-[(z)-(3-isobutyl-4-oxo-thiazolidin-2-ylidene)amino]-2-pyrazin-2-yloxy-acetamide

Structural Information

Molecular Formula
C13H17N5O3S
SMILES
CC(C)CN\1C(=O)CS/C1=N\NC(=O)COC2=NC=CN=C2
InChI
InChI=1S/C13H17N5O3S/c1-9(2)6-18-12(20)8-22-13(18)17-16-10(19)7-21-11-5-14-3-4-15-11/h3-5,9H,6-8H2,1-2H3,(H,16,19)/b17-13-
InChIKey
GECGMENHMBMEAT-LGMDPLHJSA-N
Compound name
N-[(Z)-[3-(2-methylpropyl)-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

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.11250 173.0
[M+Na]+ 346.09444 178.8
[M-H]- 322.09794 177.1
[M+NH4]+ 341.13904 185.3
[M+K]+ 362.06838 176.1
[M+H-H2O]+ 306.10248 163.6
[M+HCOO]- 368.10342 189.4
[M+CH3COO]- 382.11907 210.3
[M+Na-2H]- 344.07989 172.7
[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.