CID 91824764

5-pyrimidinecarboxamide, n-((1-ethyl-2-pyrrolidinyl)methyl)-4-isopropoxy-2-methyl-, fumarate (2:1)

Structural Information

Molecular Formula
C17H28N4O2
SMILES
CCN1CCCC1CNC(=O)C2=CN=C(N=C2OC(C)(C)C)C
InChI
InChI=1S/C17H28N4O2/c1-6-21-9-7-8-13(21)10-19-15(22)14-11-18-12(2)20-16(14)23-17(3,4)5/h11,13H,6-10H2,1-5H3,(H,19,22)
InChIKey
JHLCGGRGISSQEW-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.22122 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.22850 179.1
[M+Na]+ 343.21044 188.1
[M+NH4]+ 338.25504 184.0
[M+K]+ 359.18438 185.4
[M-H]- 319.21394 179.6
[M+Na-2H]- 341.19589 182.7
[M]+ 320.22067 180.2
[M]- 320.22177 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.