CID 157010213

Structural Information

Molecular Formula
C13H24N4O11P2
SMILES
C[N+](C)CCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O
InChI
InChI=1S/C13H24N4O11P2/c1-16(2)5-6-25-29(21,22)28-30(23,24)26-7-8-10(18)11(19)12(27-8)17-4-3-9(14)15-13(17)20/h3-4,8,10-12,18-19H,5-7H2,1-2H3,(H,21,22)(H,23,24)(H2,14,15,20)/q+1
InChIKey
GAEJDVMRVUVISL-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.09167 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.09895 193.1
[M+Na]+ 497.08089 194.3
[M-H]- 473.08439 192.1
[M+NH4]+ 492.12549 194.7
[M+K]+ 513.05483 192.6
[M+H-H2O]+ 457.08893 183.3
[M+HCOO]- 519.08987 218.4
[M+CH3COO]- 533.10552 225.4
[M+Na-2H]- 495.06634 197.6
[M]+ 474.09112 195.8
[M]- 474.09222 195.8
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.