CID 478639

[(2s,4s)-4-(6-aminoimidazo[4,5-h]quinazolin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate

Structural Information

Molecular Formula
C14H16N5O5P
SMILES
C1[C@@H](CO[C@@H]1COP(=O)(O)O)N2C=NC3=C2C4=C(C=C3)C(=NC=N4)N
InChI
InChI=1S/C14H16N5O5P/c15-14-10-1-2-11-13(12(10)16-6-17-14)19(7-18-11)8-3-9(23-4-8)5-24-25(20,21)22/h1-2,6-9H,3-5H2,(H2,15,16,17)(H2,20,21,22)/t8-,9-/m0/s1
InChIKey
ACIGIQJUYOVOFZ-IUCAKERBSA-N
Compound name
[(2S,4S)-4-(6-aminoimidazo[4,5-h]quinazolin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.0889 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09618 179.6
[M+Na]+ 388.07812 187.2
[M-H]- 364.08162 180.8
[M+NH4]+ 383.12272 189.1
[M+K]+ 404.05206 185.3
[M+H-H2O]+ 348.08616 169.1
[M+HCOO]- 410.08710 198.6
[M+CH3COO]- 424.10275 211.4
[M+Na-2H]- 386.06357 180.7
[M]+ 365.08835 181.3
[M]- 365.08945 181.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.