CID 494505

Nsc625648

Structural Information

Molecular Formula
C12H17FN4O3
SMILES
CN(C)C=NC1=NC(=O)N(C=C1F)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C12H17FN4O3/c1-16(2)7-14-11-9(13)5-17(12(19)15-11)10-4-3-8(6-18)20-10/h5,7-8,10,18H,3-4,6H2,1-2H3/t8-,10+/m0/s1
InChIKey
LKKYOIXMDARFKF-WCBMZHEXSA-N
Compound name
N'-[5-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12848 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13576 163.1
[M+Na]+ 307.11770 171.0
[M-H]- 283.12120 168.4
[M+NH4]+ 302.16230 177.0
[M+K]+ 323.09164 170.0
[M+H-H2O]+ 267.12574 153.4
[M+HCOO]- 329.12668 185.0
[M+CH3COO]- 343.14233 206.9
[M+Na-2H]- 305.10315 165.2
[M]+ 284.12793 164.2
[M]- 284.12903 164.2
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.