CID 135440665

177216-32-9

Structural Information

Molecular Formula
C18H25N5O7
SMILES
CCC(=O)NC1=NC2=C(C(=O)N1)N=CN2COC(COC(=O)CC)COC(=O)CC
InChI
InChI=1S/C18H25N5O7/c1-4-12(24)20-18-21-16-15(17(27)22-18)19-9-23(16)10-30-11(7-28-13(25)5-2)8-29-14(26)6-3/h9,11H,4-8,10H2,1-3H3,(H2,20,21,22,24,27)
InChIKey
LQZYGPASWDRRFI-UHFFFAOYSA-N
Compound name
[2-[[6-oxo-2-(propanoylamino)-1H-purin-9-yl]methoxy]-3-propanoyloxypropyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.17538 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.18266 195.1
[M+Na]+ 446.16460 200.8
[M-H]- 422.16810 193.6
[M+NH4]+ 441.20920 201.3
[M+K]+ 462.13854 199.2
[M+H-H2O]+ 406.17264 185.5
[M+HCOO]- 468.17358 211.0
[M+CH3COO]- 482.18923 225.8
[M+Na-2H]- 444.15005 194.9
[M]+ 423.17483 204.0
[M]- 423.17593 204.0
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.