CID 455894

8aza-isoddamp ala deriv.

Structural Information

Molecular Formula
C19H24N7O6P
SMILES
CC(C(=O)OC)NP(=O)(OC[C@H]1C[C@H](CO1)N2C3=NC=NC(=C3N=N2)N)OC4=CC=CC=C4
InChI
InChI=1S/C19H24N7O6P/c1-12(19(27)29-2)24-33(28,32-14-6-4-3-5-7-14)31-10-15-8-13(9-30-15)26-18-16(23-25-26)17(20)21-11-22-18/h3-7,11-13,15H,8-10H2,1-2H3,(H,24,28)(H2,20,21,22)/t12?,13-,15-,33?/m1/s1
InChIKey
PIXYRXCEJLPZNJ-IVGXQETGSA-N
Compound name
methyl 2-[[[(2R,4R)-4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

477.15256 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.15984 201.9
[M+Na]+ 500.14178 205.0
[M-H]- 476.14528 206.4
[M+NH4]+ 495.18638 204.4
[M+K]+ 516.11572 205.3
[M+H-H2O]+ 460.14982 188.6
[M+HCOO]- 522.15076 221.7
[M+CH3COO]- 536.16641 237.7
[M+Na-2H]- 498.12723 201.3
[M]+ 477.15201 205.7
[M]- 477.15311 205.7
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.