CID 135434885

Chembl158169

Structural Information

Molecular Formula
C19H23N5O2
SMILES
CC1=CC=C(C=C1)C2=C(C(=O)NC(=N2)NCCCN3CCOCC3)C#N
InChI
InChI=1S/C19H23N5O2/c1-14-3-5-15(6-4-14)17-16(13-20)18(25)23-19(22-17)21-7-2-8-24-9-11-26-12-10-24/h3-6H,2,7-12H2,1H3,(H2,21,22,23,25)
InChIKey
KJLFMSYSEDTZAO-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-2-(3-morpholin-4-ylpropylamino)-6-oxo-1H-pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.18518 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19246 183.4
[M+Na]+ 376.17440 190.3
[M-H]- 352.17790 184.9
[M+NH4]+ 371.21900 188.0
[M+K]+ 392.14834 183.8
[M+H-H2O]+ 336.18244 164.9
[M+HCOO]- 398.18338 194.5
[M+CH3COO]- 412.19903 189.4
[M+Na-2H]- 374.15985 185.3
[M]+ 353.18463 174.9
[M]- 353.18573 174.9
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.