CID 514352

Ala-abc-mp

Structural Information

Molecular Formula
C17H24N7O5P
SMILES
C[C@H](C(=O)O)NP(=O)(O)OC[C@H]1C[C@H](C=C1)N2C=NC3=C(N=C(N=C32)N)NC4CC4
InChI
InChI=1S/C17H24N7O5P/c1-9(16(25)26)23-30(27,28)29-7-10-2-5-12(6-10)24-8-19-13-14(20-11-3-4-11)21-17(18)22-15(13)24/h2,5,8-12H,3-4,6-7H2,1H3,(H,25,26)(H2,23,27,28)(H3,18,20,21,22)/t9-,10-,12+/m1/s1
InChIKey
RBWKRPXNZCXHHH-FOGDFJRCSA-N
Compound name
(2R)-2-[[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methoxy-hydroxyphosphoryl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.15765 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.16493 193.8
[M+Na]+ 460.14687 199.1
[M-H]- 436.15037 197.0
[M+NH4]+ 455.19147 195.6
[M+K]+ 476.12081 193.9
[M+H-H2O]+ 420.15491 184.4
[M+HCOO]- 482.15585 215.0
[M+CH3COO]- 496.17150 233.0
[M+Na-2H]- 458.13232 192.6
[M]+ 437.15710 196.5
[M]- 437.15820 196.5
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.