CID 90418768

1628782-06-8

Structural Information

Molecular Formula
C13H19N3O5
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(O2)C(=O)O
InChI
InChI=1S/C13H19N3O5/c1-13(2,3)21-12(19)16-6-4-15(5-7-16)11-14-8-9(20-11)10(17)18/h8H,4-7H2,1-3H3,(H,17,18)
InChIKey
NLTZOFKFFKRWGB-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

297.13248 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13976 167.7
[M+Na]+ 320.12170 173.1
[M-H]- 296.12520 169.6
[M+NH4]+ 315.16630 178.3
[M+K]+ 336.09564 173.2
[M+H-H2O]+ 280.12974 159.7
[M+HCOO]- 342.13068 180.3
[M+CH3COO]- 356.14633 197.2
[M+Na-2H]- 318.10715 168.6
[M]+ 297.13193 167.8
[M]- 297.13303 167.8
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

patents stripe