CID 209851

Brn 0734935

Structural Information

Molecular Formula
C16H23Cl2N4O10P
SMILES
CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C(=O)NC(=O)C=N2)COP(=O)(N(CCCl)CCCl)O
InChI
InChI=1S/C16H23Cl2N4O10P/c1-9(23)30-13-11(8-29-33(27,28)21(5-3-17)6-4-18)32-15(14(13)31-10(2)24)22-16(26)20-12(25)7-19-22/h7,11,13-15H,3-6,8H2,1-2H3,(H,27,28)(H,20,25,26)/t11-,13-,14-,15-/m1/s1
InChIKey
IGQSSGGXXFGWDN-NMFUWQPSSA-N
Compound name
N,N-bis(2-chloroethyl)-[[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3,5-dioxo-1,2,4-triazin-2-yl)oxolan-2-yl]methoxy]phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.05286 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.06014 199.8
[M+Na]+ 555.04208 205.0
[M-H]- 531.04558 201.8
[M+NH4]+ 550.08668 202.8
[M+K]+ 571.01602 205.4
[M+H-H2O]+ 515.05012 190.6
[M+HCOO]- 577.05106 210.1
[M+CH3COO]- 591.06671 240.0
[M+Na-2H]- 553.02753 197.0
[M]+ 532.05231 210.9
[M]- 532.05341 210.9
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.