CID 3052901

69387-78-6

Structural Information

Molecular Formula
C13H20N5O6P
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOP(=O)(N3CCOCC3)O
InChI
InChI=1S/C13H20N5O6P/c1-15-11-10(12(19)16(2)13(15)20)17(9-14-11)3-8-24-25(21,22)18-4-6-23-7-5-18/h9H,3-8H2,1-2H3,(H,21,22)
InChIKey
VZHXPQAQDNAQHM-UHFFFAOYSA-N
Compound name
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethoxy-morpholin-4-ylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1151 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12238 185.3
[M+Na]+ 396.10432 194.1
[M-H]- 372.10782 185.4
[M+NH4]+ 391.14892 191.6
[M+K]+ 412.07826 192.4
[M+H-H2O]+ 356.11236 173.2
[M+HCOO]- 418.11330 202.7
[M+CH3COO]- 432.12895 213.5
[M+Na-2H]- 394.08977 185.5
[M]+ 373.11455 189.7
[M]- 373.11565 189.7
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.