CID 135434915

Chembl159025

Structural Information

Molecular Formula
C19H23N5O3
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)NC(=N2)NCCCN3CCOCC3)C#N
InChI
InChI=1S/C19H23N5O3/c1-26-15-5-3-14(4-6-15)17-16(13-20)18(25)23-19(22-17)21-7-2-8-24-9-11-27-12-10-24/h3-6H,2,7-12H2,1H3,(H2,21,22,23,25)
InChIKey
MFKMWNIJONQRQQ-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-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

369.18008 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.18736 184.9
[M+Na]+ 392.16930 191.6
[M-H]- 368.17280 186.5
[M+NH4]+ 387.21390 188.9
[M+K]+ 408.14324 185.8
[M+H-H2O]+ 352.17734 166.3
[M+HCOO]- 414.17828 196.2
[M+CH3COO]- 428.19393 225.0
[M+Na-2H]- 390.15475 187.0
[M]+ 369.17953 177.6
[M]- 369.18063 177.6
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.