CID 135434919

Chembl159199

Structural Information

Molecular Formula
C19H23N5O
SMILES
CN(C)C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)NC3CCCCC3)C#N
InChI
InChI=1S/C19H23N5O/c1-24(2)15-10-8-13(9-11-15)17-16(12-20)18(25)23-19(22-17)21-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H2,21,22,23,25)
InChIKey
OGNILYUSSGQJEA-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.19025 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19753 183.0
[M+Na]+ 360.17947 189.5
[M-H]- 336.18297 186.9
[M+NH4]+ 355.22407 191.1
[M+K]+ 376.15341 182.7
[M+H-H2O]+ 320.18751 165.6
[M+HCOO]- 382.18845 197.5
[M+CH3COO]- 396.20410 189.8
[M+Na-2H]- 358.16492 184.1
[M]+ 337.18970 172.9
[M]- 337.19080 172.9
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.