CID 464610

Di[3'-(o)me-t]-5',5''-(2,2-diclet)mp

Structural Information

Molecular Formula
C24H33Cl2N4O12P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)OC)OCC(Cl)Cl)OC
InChI
InChI=1S/C24H33Cl2N4O12P/c1-12-7-29(23(33)27-21(12)31)19-5-14(36-3)16(41-19)9-38-43(35,40-11-18(25)26)39-10-17-15(37-4)6-20(42-17)30-8-13(2)22(32)28-24(30)34/h7-8,14-20H,5-6,9-11H2,1-4H3,(H,27,31,33)(H,28,32,34)/t14-,15-,16+,17+,19+,20+/m0/s1
InChIKey
FEGDGQOXUGMCIH-YSFZOSMKSA-N
Compound name
2,2-dichloroethyl bis[[(2R,3S,5R)-3-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

670.121 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 671.12828 233.3
[M+Na]+ 693.11022 237.8
[M-H]- 669.11372 240.2
[M+NH4]+ 688.15482 229.0
[M+K]+ 709.08416 239.2
[M+H-H2O]+ 653.11826 222.9
[M+HCOO]- 715.11920 237.7
[M+CH3COO]- 729.13485 263.2
[M+Na-2H]- 691.09567 210.1
[M]+ 670.12045 245.1
[M]- 670.12155 245.1
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.