CID 496317

Nsc685580

Structural Information

Molecular Formula
C25H39N4O11P
SMILES
C1CCN(CC1)CC(=O)OCOP(=O)(OC[C@H]2CC[C@H](O2)N3C=CC(=O)NC3=O)OCOC(=O)CN4CCCCC4
InChI
InChI=1S/C25H39N4O11P/c30-21-9-14-29(25(33)26-21)22-8-7-20(40-22)17-37-41(34,38-18-35-23(31)15-27-10-3-1-4-11-27)39-19-36-24(32)16-28-12-5-2-6-13-28/h9,14,20,22H,1-8,10-13,15-19H2,(H,26,30,33)/t20-,22+/m1/s1
InChIKey
CXRDNKNCWSIWCX-IRLDBZIGSA-N
Compound name
[[(2R,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-piperidin-1-ylacetyl)oxymethoxy]phosphoryl]oxymethyl 2-piperidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.2353 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.24258 223.6
[M+Na]+ 625.22452 218.3
[M-H]- 601.22802 226.1
[M+NH4]+ 620.26912 217.8
[M+K]+ 641.19846 220.4
[M+H-H2O]+ 585.23256 208.6
[M+HCOO]- 647.23350 232.0
[M+CH3COO]- 661.24915 250.3
[M+Na-2H]- 623.20997 217.5
[M]+ 602.23475 222.4
[M]- 602.23585 222.4
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.