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 166.9
[M+Na]+ 301.16352 173.1
[M-H]- 277.16702 169.4
[M+NH4]+ 296.20812 180.5
[M+K]+ 317.13746 170.3
[M+H-H2O]+ 261.17156 157.3
[M+HCOO]- 323.17250 185.8
[M+CH3COO]- 337.18815 202.6
[M+Na-2H]- 299.14897 167.5
[M]+ 278.17375 167.3
[M]- 278.17485 167.3
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.