CID 3073415

2-phenyl-3,3a-dihydro-4-oxo-5-((2-morpholin-1-yl)ethyl)pyrazolo(1,5-d)(1,2,4)triazine

Structural Information

Molecular Formula
C17H21N5O2
SMILES
C1COCCN1CCN2C(=O)C3CC(=NN3C=N2)C4=CC=CC=C4
InChI
InChI=1S/C17H21N5O2/c23-17-16-12-15(14-4-2-1-3-5-14)19-22(16)13-18-21(17)7-6-20-8-10-24-11-9-20/h1-5,13,16H,6-12H2
InChIKey
ATGYYECHFNQXAO-UHFFFAOYSA-N
Compound name
5-(2-morpholin-4-ylethyl)-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.16953 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.17681 180.0
[M+Na]+ 350.15875 185.6
[M-H]- 326.16225 183.1
[M+NH4]+ 345.20335 187.4
[M+K]+ 366.13269 181.0
[M+H-H2O]+ 310.16679 167.1
[M+HCOO]- 372.16773 190.5
[M+CH3COO]- 386.18338 187.6
[M+Na-2H]- 348.14420 181.0
[M]+ 327.16898 175.9
[M]- 327.17008 175.9
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.