CID 135434927

Chembl348042

Structural Information

Molecular Formula
C17H19N5O2
SMILES
CN(C)C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N3CCOCC3)C#N
InChI
InChI=1S/C17H19N5O2/c1-21(2)13-5-3-12(4-6-13)15-14(11-18)16(23)20-17(19-15)22-7-9-24-10-8-22/h3-6H,7-10H2,1-2H3,(H,19,20,23)
InChIKey
OATPQCWUXQAHDC-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.15387 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16115 176.0
[M+Na]+ 348.14309 183.8
[M-H]- 324.14659 179.1
[M+NH4]+ 343.18769 182.2
[M+K]+ 364.11703 178.8
[M+H-H2O]+ 308.15113 157.6
[M+HCOO]- 370.15207 188.1
[M+CH3COO]- 384.16772 183.2
[M+Na-2H]- 346.12854 178.1
[M]+ 325.15332 167.9
[M]- 325.15442 167.9
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.