CID 476597

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

Structural Information

Molecular Formula
C18H16N4O
SMILES
CC1=NN(C2=C1OC(=N2)NCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H16N4O/c1-13-16-17(22(21-13)15-10-6-3-7-11-15)20-18(23-16)19-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,19,20)
InChIKey
CTYKKJLLOQRSTG-UHFFFAOYSA-N
Compound name
N-benzyl-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

304.13242 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 168.5
[M+Na]+ 327.12164 178.9
[M-H]- 303.12514 177.3
[M+NH4]+ 322.16624 182.3
[M+K]+ 343.09558 173.9
[M+H-H2O]+ 287.12968 158.7
[M+HCOO]- 349.13062 192.0
[M+CH3COO]- 363.14627 180.8
[M+Na-2H]- 325.10709 173.6
[M]+ 304.13187 172.3
[M]- 304.13297 172.3
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.