CID 451420

Ddfc

Structural Information

Molecular Formula
C12H17FN4O3
SMILES
CN(C)C=NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)F
InChI
InChI=1S/C12H17FN4O3/c1-16(2)7-14-10-3-4-17(12(19)15-10)11-5-8(13)9(6-18)20-11/h3-4,7-9,11,18H,5-6H2,1-2H3/t8-,9+,11+/m0/s1
InChIKey
XPEDWRMUCWJRTR-IQJOONFLSA-N
Compound name
N'-[1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

284.12848 Da
Monoisotopic Mass

-0.5
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

literature stripe

Patent stripe

patents stripe