CID 86423

Ipmfddc

Structural Information

Molecular Formula
C16H25FN4O3
SMILES
CC(C)N(C=NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)F)C(C)C
InChI
InChI=1S/C16H25FN4O3/c1-10(2)21(11(3)4)9-18-14-5-6-20(16(23)19-14)15-7-12(17)13(8-22)24-15/h5-6,9-13,15,22H,7-8H2,1-4H3/t12-,13+,15+/m0/s1
InChIKey
GYFKTPHLEZJCMH-GZBFAFLISA-N
Compound name
N'-[1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

340.19107 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19835 181.9
[M+Na]+ 363.18029 187.5
[M-H]- 339.18379 186.8
[M+NH4]+ 358.22489 193.4
[M+K]+ 379.15423 186.7
[M+H-H2O]+ 323.18833 171.9
[M+HCOO]- 385.18927 200.4
[M+CH3COO]- 399.20492 220.7
[M+Na-2H]- 361.16574 179.7
[M]+ 340.19052 183.2
[M]- 340.19162 183.2
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.