CID 3073414

3,3a-dihydro-5-(4-morpholinylmethyl)-2-phenylpyrazolo(1,5-d)(1,2,4)triazin-4(5h)-one

Structural Information

Molecular Formula
C16H19N5O2
SMILES
C1COCCN1CN2C(=O)C3CC(=NN3C=N2)C4=CC=CC=C4
InChI
InChI=1S/C16H19N5O2/c22-16-15-10-14(13-4-2-1-3-5-13)18-20(15)11-17-21(16)12-19-6-8-23-9-7-19/h1-5,11,15H,6-10,12H2
InChIKey
GGMWJOSNTDLSHK-UHFFFAOYSA-N
Compound name
5-(morpholin-4-ylmethyl)-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

313.15387 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.161146 175.7
[M+Na]+ 336.143088 181.9
[M-H]- 312.146594 179.1
[M+NH4]+ 331.187693 183.8
[M+K]+ 352.117028 177.5
[M+H-H2O]+ 296.151130 163.0
[M+HCOO]- 358.152071 186.6
[M+CH3COO]- 372.167721 183.8
[M+Na-2H]- 334.128536 177.2
[M]+ 313.15332142 171.4
[M]- 313.15441858 171.4
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.