CID 454199

3'-eto2ponh-t

Structural Information

Molecular Formula
C14H24N3O7P
SMILES
CCOP(=O)(N[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)C)OCC
InChI
InChI=1S/C14H24N3O7P/c1-4-22-25(21,23-5-2)16-10-6-12(24-11(10)8-18)17-7-9(3)13(19)15-14(17)20/h7,10-12,18H,4-6,8H2,1-3H3,(H,16,21)(H,15,19,20)/t10-,11+,12+/m0/s1
InChIKey
LQAKENJITGYCTE-QJPTWQEYSA-N
Compound name
1-[(2R,4S,5S)-4-(diethoxyphosphorylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1352 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14248 184.2
[M+Na]+ 400.12442 190.0
[M-H]- 376.12792 185.5
[M+NH4]+ 395.16902 192.7
[M+K]+ 416.09836 189.2
[M+H-H2O]+ 360.13246 173.9
[M+HCOO]- 422.13340 205.8
[M+CH3COO]- 436.14905 215.2
[M+Na-2H]- 398.10987 183.1
[M]+ 377.13465 188.3
[M]- 377.13575 188.3
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.