CID 3069124

5-pyrimidinecarboxamide, 2-ethyl-n-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxy-, fumarate (2:3)

Structural Information

Molecular Formula
C15H24N4O2
SMILES
CCC1=NC=C(C(=N1)OC)C(=O)NCC2CCCN2CC
InChI
InChI=1S/C15H24N4O2/c1-4-13-16-10-12(15(18-13)21-3)14(20)17-9-11-7-6-8-19(11)5-2/h10-11H,4-9H2,1-3H3,(H,17,20)
InChIKey
MICMRVRFJJRRPP-UHFFFAOYSA-N
Compound name
2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

292.1899 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19718 171.3
[M+Na]+ 315.17912 177.1
[M-H]- 291.18262 173.7
[M+NH4]+ 310.22372 184.3
[M+K]+ 331.15306 174.1
[M+H-H2O]+ 275.18716 161.5
[M+HCOO]- 337.18810 189.9
[M+CH3COO]- 351.20375 205.6
[M+Na-2H]- 313.16457 171.4
[M]+ 292.18935 172.1
[M]- 292.19045 172.1
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