CID 135434924

Chembl158581

Structural Information

Molecular Formula
C15H17N5O2
SMILES
CN(C)C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)NCCO)C#N
InChI
InChI=1S/C15H17N5O2/c1-20(2)11-5-3-10(4-6-11)13-12(9-16)14(22)19-15(18-13)17-7-8-21/h3-6,21H,7-8H2,1-2H3,(H2,17,18,19,22)
InChIKey
YCPIMQWFJXZRPU-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)phenyl]-2-(2-hydroxyethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.1382 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14548 171.7
[M+Na]+ 322.12742 180.2
[M-H]- 298.13092 173.2
[M+NH4]+ 317.17202 181.2
[M+K]+ 338.10136 175.6
[M+H-H2O]+ 282.13546 155.6
[M+HCOO]- 344.13640 189.0
[M+CH3COO]- 358.15205 217.8
[M+Na-2H]- 320.11287 174.5
[M]+ 299.13765 166.0
[M]- 299.13875 166.0
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.