CID 210526

21271-25-0

Structural Information

Molecular Formula
C20H22N4O2
SMILES
C1CCN(CC1)CCOC2=C(C(=O)N3C=CN=CC3=N2)C4=CC=CC=C4
InChI
InChI=1S/C20H22N4O2/c25-20-18(16-7-3-1-4-8-16)19(22-17-15-21-9-12-24(17)20)26-14-13-23-10-5-2-6-11-23/h1,3-4,7-9,12,15H,2,5-6,10-11,13-14H2
InChIKey
AUERMYWBEPRZGQ-UHFFFAOYSA-N
Compound name
3-phenyl-2-(2-piperidin-1-ylethoxy)pyrazino[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 186.1
[M+Na]+ 373.16352 192.1
[M-H]- 349.16702 189.8
[M+NH4]+ 368.20812 193.3
[M+K]+ 389.13746 185.3
[M+H-H2O]+ 333.17156 172.4
[M+HCOO]- 395.17250 199.6
[M+CH3COO]- 409.18815 193.7
[M+Na-2H]- 371.14897 190.9
[M]+ 350.17375 183.6
[M]- 350.17485 183.6
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.