CID 135434926

Chembl347614

Structural Information

Molecular Formula
C23H24N6O
SMILES
CN(C)C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N3CCN(CC3)C4=CC=CC=C4)C#N
InChI
InChI=1S/C23H24N6O/c1-27(2)18-10-8-17(9-11-18)21-20(16-24)22(30)26-23(25-21)29-14-12-28(13-15-29)19-6-4-3-5-7-19/h3-11H,12-15H2,1-2H3,(H,25,26,30)
InChIKey
RPIDKCPIZGLOSG-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)phenyl]-6-oxo-2-(4-phenylpiperazin-1-yl)-1H-pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.20117 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.208446 198.3
[M+Na]+ 423.190388 205.3
[M-H]- 399.193894 201.2
[M+NH4]+ 418.234993 200.9
[M+K]+ 439.164328 196.0
[M+H-H2O]+ 383.198430 177.8
[M+HCOO]- 445.199371 208.5
[M+CH3COO]- 459.215021 203.0
[M+Na-2H]- 421.175836 198.4
[M]+ 400.20062142 188.2
[M]- 400.20171858 188.2
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.