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]+ 314.16115 175.7
[M+Na]+ 336.14309 181.9
[M-H]- 312.14659 179.1
[M+NH4]+ 331.18769 183.8
[M+K]+ 352.11703 177.5
[M+H-H2O]+ 296.15113 163.0
[M+HCOO]- 358.15207 186.6
[M+CH3COO]- 372.16772 183.8
[M+Na-2H]- 334.12854 177.2
[M]+ 313.15332 171.4
[M]- 313.15442 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.