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]+ 294.192456 170.1
[M+Na]+ 316.174398 175.4
[M-H]- 292.177904 172.2
[M+NH4]+ 311.219003 182.4
[M+K]+ 332.148338 172.3
[M+H-H2O]+ 276.182440 160.2
[M+HCOO]- 338.183381 189.5
[M+CH3COO]- 352.199031 207.2
[M+Na-2H]- 314.159846 170.5
[M]+ 293.18463142 168.9
[M]- 293.18572858 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