CID 165989805

2763756-28-9

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	268.129196	160.7
[M+Na]+	290.111138	167.6
[M-H]-	266.114644	163.1
[M+NH4]+	285.155743	175.9
[M+K]+	306.085078	167.4
[M+H-H2O]+	250.119180	153.8
[M+HCOO]-	312.120121	178.1
[M+CH3COO]-	326.135771	197.1
[M+Na-2H]-	288.096586	165.8
[M]+	267.12137142	163.0
[M]-	267.12246858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.