CID 3055412

72412-31-8

Structural Information

Molecular Formula
C14H22N4O2
SMILES
CCN1CCC[C@H]1CNC(=O)C2=CN=C(N=C2OC)C
InChI
InChI=1S/C14H22N4O2/c1-4-18-7-5-6-11(18)8-16-13(19)12-9-15-10(2)17-14(12)20-3/h9,11H,4-8H2,1-3H3,(H,16,19)/t11-/m0/s1
InChIKey
YCQMGHOYAMJGJR-NSHDSACASA-N
Compound name
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methoxy-2-methylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

278.1743 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18158 167.0
[M+Na]+ 301.16352 176.9
[M+NH4]+ 296.20812 172.5
[M+K]+ 317.13746 173.5
[M-H]- 277.16702 168.1
[M+Na-2H]- 299.14897 171.2
[M]+ 278.17375 168.3
[M]- 278.17485 168.3
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.