CID 11820796

Acetic acid, (pyrazinyloxy)-, [(2z)-3-(1-methylethyl)-4-oxo-2-thiazolidinylidene]hydrazide

Structural Information

Molecular Formula
C12H15N5O3S
SMILES
CC(C)N\1C(=O)CS/C1=N\NC(=O)COC2=NC=CN=C2
InChI
InChI=1S/C12H15N5O3S/c1-8(2)17-11(19)7-21-12(17)16-15-9(18)6-20-10-5-13-3-4-14-10/h3-5,8H,6-7H2,1-2H3,(H,15,18)/b16-12-
InChIKey
IIWUXWCGEPVTHM-VBKFSLOCSA-N
Compound name
N-[(Z)-(4-oxo-3-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.08957 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09685 168.9
[M+Na]+ 332.07879 175.1
[M-H]- 308.08229 173.1
[M+NH4]+ 327.12339 181.7
[M+K]+ 348.05273 172.6
[M+H-H2O]+ 292.08683 159.6
[M+HCOO]- 354.08777 185.6
[M+CH3COO]- 368.10342 207.4
[M+Na-2H]- 330.06424 169.0
[M]+ 309.08902 171.0
[M]- 309.09012 171.0
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.