CID 2724512

86299-46-9

Structural Information

Molecular Formula
C15H23N3O5S
SMILES
CCOC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)C1=CSC(=N1)N
InChI
InChI=1S/C15H23N3O5S/c1-7-21-11(19)10(9-8-24-13(16)17-9)18-23-15(5,6)12(20)22-14(2,3)4/h8H,7H2,1-6H3,(H2,16,17)
InChIKey
GVGJDTAQZPCVCX-UHFFFAOYSA-N
Compound name
tert-butyl 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-ethoxy-2-oxoethylidene]amino]oxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

357.13583 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14311 184.4
[M+Na]+ 380.12505 188.1
[M+NH4]+ 375.16965 187.3
[M+K]+ 396.09899 187.6
[M-H]- 356.12855 181.5
[M+Na-2H]- 378.11050 184.5
[M]+ 357.13528 183.9
[M]- 357.13638 183.9
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

patents stripe