CID 480125

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

Structural Information

Molecular Formula
C17H18N5O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP3(=O)OCC4=CC=CC=C4O3)N=[N+]=[N-]
InChI
InChI=1S/C17H18N5O7P/c1-10-7-22(17(24)19-16(10)23)15-6-12(20-21-18)14(28-15)9-27-30(25)26-8-11-4-2-3-5-13(11)29-30/h2-5,7,12,14-15H,6,8-9H2,1H3,(H,19,23,24)/t12-,14+,15+,30?/m0/s1
InChIKey
QGDDVTFSTVRUKH-VTLMUOEXSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-[(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

435.0944 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.10168 195.6
[M+Na]+ 458.08362 201.2
[M-H]- 434.08712 205.9
[M+NH4]+ 453.12822 201.9
[M+K]+ 474.05756 196.8
[M+H-H2O]+ 418.09166 187.1
[M+HCOO]- 480.09260 220.4
[M+CH3COO]- 494.10825 226.9
[M+Na-2H]- 456.06907 201.8
[M]+ 435.09385 195.9
[M]- 435.09495 195.9
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.