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

literature stripe

Patent stripe

patents stripe