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]+ 284.124096 163.2
[M+Na]+ 306.106038 169.2
[M-H]- 282.109544 164.3
[M+NH4]+ 301.150643 176.9
[M+K]+ 322.079978 169.4
[M+H-H2O]+ 266.114080 156.6
[M+HCOO]- 328.115021 178.3
[M+CH3COO]- 342.130671 198.0
[M+Na-2H]- 304.091486 167.0
[M]+ 283.11627142 164.5
[M]- 283.11736858 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.