CID 385292

Nsc676404

Structural Information

Molecular Formula
C13H24ClN4O4P
SMILES
CCOP(=O)(CCCC(CNC1=CC(=NC(=N1)N)Cl)O)OCC
InChI
InChI=1S/C13H24ClN4O4P/c1-3-21-23(20,22-4-2)7-5-6-10(19)9-16-12-8-11(14)17-13(15)18-12/h8,10,19H,3-7,9H2,1-2H3,(H3,15,16,17,18)
InChIKey
MZOMXNMWTHRVCH-UHFFFAOYSA-N
Compound name
1-[(2-amino-6-chloropyrimidin-4-yl)amino]-5-diethoxyphosphorylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.12238 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12966 183.9
[M+Na]+ 389.11160 189.0
[M-H]- 365.11510 181.7
[M+NH4]+ 384.15620 193.7
[M+K]+ 405.08554 185.7
[M+H-H2O]+ 349.11964 173.8
[M+HCOO]- 411.12058 203.4
[M+CH3COO]- 425.13623 217.5
[M+Na-2H]- 387.09705 184.0
[M]+ 366.12183 189.5
[M]- 366.12293 189.5
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.