CID 132343716

2137058-04-7

Structural Information

Molecular Formula
C12H19FN4O
SMILES
CN(C)C[C@@H]1C[C@@H](CN1C2=CC(=NC=N2)F)OC
InChI
InChI=1S/C12H19FN4O/c1-16(2)6-9-4-10(18-3)7-17(9)12-5-11(13)14-8-15-12/h5,8-10H,4,6-7H2,1-3H3/t9-,10-/m0/s1
InChIKey
CJZMTLUEGCLREP-UWVGGRQHSA-N
Compound name
1-[(2S,4S)-1-(6-fluoropyrimidin-4-yl)-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1543 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.16158 158.0
[M+Na]+ 277.14352 165.4
[M-H]- 253.14702 160.7
[M+NH4]+ 272.18812 173.3
[M+K]+ 293.11746 163.4
[M+H-H2O]+ 237.15156 147.5
[M+HCOO]- 299.15250 177.6
[M+CH3COO]- 313.16815 201.2
[M+Na-2H]- 275.12897 159.4
[M]+ 254.15375 157.9
[M]- 254.15485 157.9
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.