CID 3055420

N-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxy-5-pyrimidinecarboxamide monohydrochloride

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CCN1CCCC1CNC(=O)C2=CN=CN=C2OC
InChI
InChI=1S/C13H20N4O2/c1-3-17-6-4-5-10(17)7-15-12(18)11-8-14-9-16-13(11)19-2/h8-10H,3-7H2,1-2H3,(H,15,18)
InChIKey
WITCVDMWCHFPOO-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

264.15863 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16591 162.1
[M+Na]+ 287.14785 167.8
[M-H]- 263.15135 164.4
[M+NH4]+ 282.19245 175.9
[M+K]+ 303.12179 165.3
[M+H-H2O]+ 247.15589 152.3
[M+HCOO]- 309.15683 181.4
[M+CH3COO]- 323.17248 198.4
[M+Na-2H]- 285.13330 164.0
[M]+ 264.15808 161.7
[M]- 264.15918 161.7
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

patents stripe