CID 3053691

Brn 4165484

Structural Information

Molecular Formula
C15H28N6O5P
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNP(=O)(O)OCCC[N+](C)(C)C
InChI
InChI=1S/C15H27N6O5P/c1-18-13-12(14(22)19(2)15(18)23)20(11-16-13)8-7-17-27(24,25)26-10-6-9-21(3,4)5/h11H,6-10H2,1-5H3,(H-,17,24,25)/p+1
InChIKey
XRJIJEZCSMTHJF-UHFFFAOYSA-O
Compound name
3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylamino]-hydroxyphosphoryl]oxypropyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.18588 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.19316 187.3
[M+Na]+ 426.17510 197.2
[M+NH4]+ 421.21970 189.7
[M+K]+ 442.14904 198.1
[M-H]- 402.17860 185.6
[M+Na-2H]- 424.16055 189.3
[M]+ 403.18533 187.9
[M]- 403.18643 187.9
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.