CID 71299229

1393845-81-2

Structural Information

Molecular Formula
C14H12N4O2
SMILES
CCOC(=O)C1=NC(=NC=C1)NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H12N4O2/c1-2-20-13(19)12-7-8-16-14(18-12)17-11-5-3-10(9-15)4-6-11/h3-8H,2H2,1H3,(H,16,17,18)
InChIKey
DVBYTYGANLEDTE-UHFFFAOYSA-N
Compound name
ethyl 2-(4-cyanoanilino)pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.09604 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10332 164.2
[M+Na]+ 291.08526 176.8
[M+NH4]+ 286.12986 167.2
[M+K]+ 307.05920 167.2
[M-H]- 267.08876 159.6
[M+Na-2H]- 289.07071 169.3
[M]+ 268.09549 163.7
[M]- 268.09659 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.