CID 476595

Ethyl 2-[(3-methyl-1-phenyl-pyrazolo[3,4-d]oxazol-5-yl)amino]acetate

Structural Information

Molecular Formula
C15H16N4O3
SMILES
CCOC(=O)CNC1=NC2=C(O1)C(=NN2C3=CC=CC=C3)C
InChI
InChI=1S/C15H16N4O3/c1-3-21-12(20)9-16-15-17-14-13(22-15)10(2)18-19(14)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,17)
InChIKey
XVTMKUXUHHDEPR-UHFFFAOYSA-N
Compound name
ethyl 2-[(3-methyl-1-phenylpyrazolo[3,4-d][1,3]oxazol-5-yl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.12225 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12953 167.4
[M+Na]+ 323.11147 177.3
[M-H]- 299.11497 173.2
[M+NH4]+ 318.15607 181.7
[M+K]+ 339.08541 175.0
[M+H-H2O]+ 283.11951 158.7
[M+HCOO]- 345.12045 190.2
[M+CH3COO]- 359.13610 204.6
[M+Na-2H]- 321.09692 171.2
[M]+ 300.12170 174.1
[M]- 300.12280 174.1
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.