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 181.0
[M+Na]+ 343.21044 186.4
[M-H]- 319.21394 183.5
[M+NH4]+ 338.25504 193.1
[M+K]+ 359.18438 183.5
[M+H-H2O]+ 303.21848 171.8
[M+HCOO]- 365.21942 197.4
[M+CH3COO]- 379.23507 211.3
[M+Na-2H]- 341.19589 181.1
[M]+ 320.22067 182.0
[M]- 320.22177 182.0
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

No patent data available for this compound.