CID 165765000

2758005-36-4

Structural Information

Molecular Formula
C12H17N3O5
SMILES
CC(C)(C)OC(=O)NC1CN2C(=CC(=N2)C(=O)O)OC1
InChI
InChI=1S/C12H17N3O5/c1-12(2,3)20-11(18)13-7-5-15-9(19-6-7)4-8(14-15)10(16)17/h4,7H,5-6H2,1-3H3,(H,13,18)(H,16,17)
InChIKey
YMHBTDDVRAJBFG-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.11682 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12410 163.2
[M+Na]+ 306.10604 169.2
[M-H]- 282.10954 164.3
[M+NH4]+ 301.15064 176.9
[M+K]+ 322.07998 169.4
[M+H-H2O]+ 266.11408 156.6
[M+HCOO]- 328.11502 178.3
[M+CH3COO]- 342.13067 198.0
[M+Na-2H]- 304.09149 167.0
[M]+ 283.11627 164.5
[M]- 283.11737 164.5
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

No patent data available for this compound.