CID 480127

Cyclo-(3-methoxysaligenyl)-5'-o-(3'-azido-3'-deoxythymidinyl)-phosphate

Structural Information

Molecular Formula
C18H20N5O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP3(=O)OCC4=C(O3)C(=CC=C4)OC)N=[N+]=[N-]
InChI
InChI=1S/C18H20N5O8P/c1-10-7-23(18(25)20-17(10)24)15-6-12(21-22-19)14(30-15)9-29-32(26)28-8-11-4-3-5-13(27-2)16(11)31-32/h3-5,7,12,14-15H,6,8-9H2,1-2H3,(H,20,24,25)/t12-,14+,15+,32?/m0/s1
InChIKey
XYWMTAUWCFFTKT-JIWUZKJSSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-[(8-methoxy-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.10495 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.11223 202.7
[M+Na]+ 488.09417 208.3
[M-H]- 464.09767 213.2
[M+NH4]+ 483.13877 207.9
[M+K]+ 504.06811 204.5
[M+H-H2O]+ 448.10221 194.2
[M+HCOO]- 510.10315 227.2
[M+CH3COO]- 524.11880 233.6
[M+Na-2H]- 486.07962 208.5
[M]+ 465.10440 205.0
[M]- 465.10550 205.0
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.