CID 3052899

Brn 4024036

Structural Information

Molecular Formula
C14H24N5O6P
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOP(=O)(O)OCCCN(C)C
InChI
InChI=1S/C14H24N5O6P/c1-16(2)6-5-8-24-26(22,23)25-9-7-19-10-15-12-11(19)13(20)18(4)14(21)17(12)3/h10H,5-9H2,1-4H3,(H,22,23)
InChIKey
SDCWEZWZWWUPCY-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.14642 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15370 187.5
[M+Na]+ 412.13564 196.7
[M-H]- 388.13914 187.1
[M+NH4]+ 407.18024 197.1
[M+K]+ 428.10958 195.7
[M+H-H2O]+ 372.14368 176.5
[M+HCOO]- 434.14462 211.6
[M+CH3COO]- 448.16027 224.1
[M+Na-2H]- 410.12109 188.5
[M]+ 389.14587 198.9
[M]- 389.14697 198.9
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.