CID 135434896

Chembl160649

Structural Information

Molecular Formula
C14H13N5O2
SMILES
C1COCCN1C2=NC(=C(C(=O)N2)C#N)C3=CN=CC=C3
InChI
InChI=1S/C14H13N5O2/c15-8-11-12(10-2-1-3-16-9-10)17-14(18-13(11)20)19-4-6-21-7-5-19/h1-3,9H,4-7H2,(H,17,18,20)
InChIKey
AELMELAVHPOCAR-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.10693 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11421 162.0
[M+Na]+ 306.09615 170.7
[M-H]- 282.09965 162.4
[M+NH4]+ 301.14075 167.8
[M+K]+ 322.07009 164.8
[M+H-H2O]+ 266.10419 143.4
[M+HCOO]- 328.10513 172.3
[M+CH3COO]- 342.12078 169.4
[M+Na-2H]- 304.08160 166.3
[M]+ 283.10638 152.5
[M]- 283.10748 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.