CID 165989805

Tert-butyl n-{2-formyl-5h,6h,7h-pyrazolo[3,2-b][1,3]oxazin-6-yl}carbamate

Structural Information

Molecular Formula
C12H17N3O4
SMILES
CC(C)(C)OC(=O)NC1CN2C(=CC(=N2)C=O)OC1
InChI
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(17)13-9-5-15-10(18-7-9)4-8(6-16)14-15/h4,6,9H,5,7H2,1-3H3,(H,13,17)
InChIKey
AMBIRBRJVSDCCI-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-formyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12192 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12920 160.7
[M+Na]+ 290.11114 167.6
[M-H]- 266.11464 163.1
[M+NH4]+ 285.15574 175.9
[M+K]+ 306.08508 167.4
[M+H-H2O]+ 250.11918 153.8
[M+HCOO]- 312.12012 178.1
[M+CH3COO]- 326.13577 197.1
[M+Na-2H]- 288.09659 165.8
[M]+ 267.12137 163.0
[M]- 267.12247 163.0
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.