CID 165738809

2375250-68-1

Structural Information

Molecular Formula
C11H17FN4O
SMILES
CN(C)C[C@H]1C[C@H](CN1C2=CC(=NC=N2)F)O
InChI
InChI=1S/C11H17FN4O/c1-15(2)5-8-3-9(17)6-16(8)11-4-10(12)13-7-14-11/h4,7-9,17H,3,5-6H2,1-2H3/t8-,9-/m1/s1
InChIKey
SCLHNRCMDIBDEZ-RKDXNWHRSA-N
Compound name
(3R,5R)-5-[(dimethylamino)methyl]-1-(6-fluoropyrimidin-4-yl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.13864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.14592 153.9
[M+Na]+ 263.12786 161.3
[M-H]- 239.13136 155.5
[M+NH4]+ 258.17246 169.1
[M+K]+ 279.10180 158.8
[M+H-H2O]+ 223.13590 144.0
[M+HCOO]- 285.13684 172.4
[M+CH3COO]- 299.15249 195.7
[M+Na-2H]- 261.11331 155.5
[M]+ 240.13809 151.6
[M]- 240.13919 151.6
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

No patent data available for this compound.