CID 476594

N,3-dimethyl-1-phenyl-pyrazolo[3,4-d]oxazol-5-amine

Structural Information

Molecular Formula
C12H12N4O
SMILES
CC1=NN(C2=C1OC(=N2)NC)C3=CC=CC=C3
InChI
InChI=1S/C12H12N4O/c1-8-10-11(14-12(13-2)17-10)16(15-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14)
InChIKey
PXOKGHICUJLHRV-UHFFFAOYSA-N
Compound name
N,3-dimethyl-1-phenylpyrazolo[3,4-d][1,3]oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.1011 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10838 148.1
[M+Na]+ 251.09032 159.9
[M-H]- 227.09382 154.1
[M+NH4]+ 246.13492 165.7
[M+K]+ 267.06426 157.0
[M+H-H2O]+ 211.09836 140.0
[M+HCOO]- 273.09930 172.4
[M+CH3COO]- 287.11495 162.1
[M+Na-2H]- 249.07577 154.4
[M]+ 228.10055 152.5
[M]- 228.10165 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.