CID 88853

21271-37-4

Structural Information

Molecular Formula
C19H19ClN4O3
SMILES
C1COCCN1CCOC2=C(C(=O)N3C=CN=CC3=N2)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H19ClN4O3/c20-15-3-1-14(2-4-15)17-18(27-12-9-23-7-10-26-11-8-23)22-16-13-21-5-6-24(16)19(17)25/h1-6,13H,7-12H2
InChIKey
OMWKVEIZTZTFJG-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-(2-morpholin-4-ylethoxy)pyrazino[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.11456 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.12184 191.2
[M+Na]+ 409.10378 199.3
[M-H]- 385.10728 195.9
[M+NH4]+ 404.14838 196.8
[M+K]+ 425.07772 193.4
[M+H-H2O]+ 369.11182 177.7
[M+HCOO]- 431.11276 199.6
[M+CH3COO]- 445.12841 199.1
[M+Na-2H]- 407.08923 195.5
[M]+ 386.11401 192.9
[M]- 386.11511 192.9
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.