CID 135434909

Chembl158395

Structural Information

Molecular Formula
C14H14N4O3
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)NC(=N2)NCCO)C#N
InChI
InChI=1S/C14H14N4O3/c1-21-10-4-2-9(3-5-10)12-11(8-15)13(20)18-14(17-12)16-6-7-19/h2-5,19H,6-7H2,1H3,(H2,16,17,18,20)
InChIKey
IFEQEDSIDKSWRR-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylamino)-4-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.1066 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11388 165.5
[M+Na]+ 309.09582 175.1
[M-H]- 285.09932 166.0
[M+NH4]+ 304.14042 175.3
[M+K]+ 325.06976 169.9
[M+H-H2O]+ 269.10386 150.0
[M+HCOO]- 331.10480 182.0
[M+CH3COO]- 345.12045 209.5
[M+Na-2H]- 307.08127 169.3
[M]+ 286.10605 160.4
[M]- 286.10715 160.4
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.