CID 478638

[(2s,4s)-4-[8-(8-aminooctylamino)imidazo[4,5-g]quinazolin-3-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate

Structural Information

Molecular Formula
C22H33N6O5P
SMILES
C1[C@@H](CO[C@@H]1COP(=O)(O)O)N2C=NC3=C2C=C4C(=C3)C(=NC=N4)NCCCCCCCCN
InChI
InChI=1S/C22H33N6O5P/c23-7-5-3-1-2-4-6-8-24-22-18-10-20-21(11-19(18)25-14-26-22)28(15-27-20)16-9-17(32-12-16)13-33-34(29,30)31/h10-11,14-17H,1-9,12-13,23H2,(H,24,25,26)(H2,29,30,31)/t16-,17-/m0/s1
InChIKey
XPAYHVHAUQAXAU-IRXDYDNUSA-N
Compound name
[(2S,4S)-4-[8-(8-aminooctylamino)imidazo[4,5-g]quinazolin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

492.225 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.23228 214.2
[M+Na]+ 515.21422 216.8
[M-H]- 491.21772 214.0
[M+NH4]+ 510.25882 218.0
[M+K]+ 531.18816 213.9
[M+H-H2O]+ 475.22226 201.9
[M+HCOO]- 537.22320 231.4
[M+CH3COO]- 551.23885 239.8
[M+Na-2H]- 513.19967 212.9
[M]+ 492.22445 217.5
[M]- 492.22555 217.5
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.