CID 3055427

2-amino-4-ethoxy-n-((1-ethyl-2-pyrrolidinyl)methyl)-5-pyrimidinecarboxamide

Structural Information

Molecular Formula
C14H23N5O2
SMILES
CCN1CCCC1CNC(=O)C2=CN=C(N=C2OCC)N
InChI
InChI=1S/C14H23N5O2/c1-3-19-7-5-6-10(19)8-16-12(20)11-9-17-14(15)18-13(11)21-4-2/h9-10H,3-8H2,1-2H3,(H,16,20)(H2,15,17,18)
InChIKey
ABFYYXAMWONITJ-UHFFFAOYSA-N
Compound name
2-amino-4-ethoxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

293.18518 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.19246 170.1
[M+Na]+ 316.17440 175.4
[M-H]- 292.17790 172.2
[M+NH4]+ 311.21900 182.4
[M+K]+ 332.14834 172.3
[M+H-H2O]+ 276.18244 160.2
[M+HCOO]- 338.18338 189.5
[M+CH3COO]- 352.19903 207.2
[M+Na-2H]- 314.15985 170.5
[M]+ 293.18463 168.9
[M]- 293.18573 168.9
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

patents stripe