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]+ 265.165906 162.1
[M+Na]+ 287.147848 167.8
[M-H]- 263.151354 164.4
[M+NH4]+ 282.192453 175.9
[M+K]+ 303.121788 165.3
[M+H-H2O]+ 247.155890 152.3
[M+HCOO]- 309.156831 181.4
[M+CH3COO]- 323.172481 198.4
[M+Na-2H]- 285.133296 164.0
[M]+ 264.15808142 161.7
[M]- 264.15917858 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