CID 3055444

Brn 0960770

Structural Information

Molecular Formula
C15H24N4O2
SMILES
CCN1CCC[C@H]1CNC(=O)C2=CN=C(N=C2OCC)C
InChI
InChI=1S/C15H24N4O2/c1-4-19-8-6-7-12(19)9-17-14(20)13-10-16-11(3)18-15(13)21-5-2/h10,12H,4-9H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKey
DWYQHWWSJRBABU-LBPRGKRZSA-N
Compound name
4-ethoxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

292.1899 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19718 171.4
[M+Na]+ 315.17912 181.0
[M+NH4]+ 310.22372 176.8
[M+K]+ 331.15306 177.5
[M-H]- 291.18262 172.4
[M+Na-2H]- 313.16457 175.3
[M]+ 292.18935 172.6
[M]- 292.19045 172.6
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