CID 454687

Tetraet(n)2po2 azt

Structural Information

Molecular Formula
C18H32N7O5P
SMILES
CCN(CC)P(=O)(N(CC)CC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C18H32N7O5P/c1-6-23(7-2)31(28,24(8-3)9-4)29-12-15-14(21-22-19)10-16(30-15)25-11-13(5)17(26)20-18(25)27/h11,14-16H,6-10,12H2,1-5H3,(H,20,26,27)/t14-,15+,16+/m0/s1
InChIKey
DPSNPAMNULUBQR-ARFHVFGLSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-[bis(diethylamino)phosphoryloxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.22025 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.22753 205.9
[M+Na]+ 480.20947 208.2
[M-H]- 456.21297 213.5
[M+NH4]+ 475.25407 212.8
[M+K]+ 496.18341 204.2
[M+H-H2O]+ 440.21751 197.6
[M+HCOO]- 502.21845 235.8
[M+CH3COO]- 516.23410 245.0
[M+Na-2H]- 478.19492 209.3
[M]+ 457.21970 209.0
[M]- 457.22080 209.0
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.