CID 476596

N-tert-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]oxazol-5-amine

Structural Information

Molecular Formula
C15H18N4O
SMILES
CC1=NN(C2=C1OC(=N2)NC(C)(C)C)C3=CC=CC=C3
InChI
InChI=1S/C15H18N4O/c1-10-12-13(16-14(20-12)17-15(2,3)4)19(18-10)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,16,17)
InChIKey
VKIGATXPCSQHCO-UHFFFAOYSA-N
Compound name
N-tert-butyl-3-methyl-1-phenylpyrazolo[3,4-d][1,3]oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.14807 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15535 163.9
[M+Na]+ 293.13729 174.7
[M-H]- 269.14079 169.9
[M+NH4]+ 288.18189 180.0
[M+K]+ 309.11123 171.7
[M+H-H2O]+ 253.14533 156.0
[M+HCOO]- 315.14627 185.5
[M+CH3COO]- 329.16192 176.7
[M+Na-2H]- 291.12274 169.4
[M]+ 270.14752 168.7
[M]- 270.14862 168.7
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.