CID 486182

Uridine, 5-methyl-2',3'-o-(1-phosphonoethylidene)- (9ci)

Structural Information

Molecular Formula
C12H17N2O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OC(O3)(C)P(=O)(O)O
InChI
InChI=1S/C12H17N2O9P/c1-5-3-14(11(17)13-9(5)16)10-8-7(6(4-15)21-10)22-12(2,23-8)24(18,19)20/h3,6-8,10,15H,4H2,1-2H3,(H,13,16,17)(H2,18,19,20)/t6-,7-,8-,10-,12?/m1/s1
InChIKey
HDIBPNQMJSTNDA-DFFJLDDQSA-N
Compound name
[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.06717 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.07445 176.4
[M+Na]+ 387.05639 184.6
[M-H]- 363.05989 178.2
[M+NH4]+ 382.10099 186.5
[M+K]+ 403.03033 185.8
[M+H-H2O]+ 347.06443 170.6
[M+HCOO]- 409.06537 191.8
[M+CH3COO]- 423.08102 205.2
[M+Na-2H]- 385.04184 177.3
[M]+ 364.06662 180.0
[M]- 364.06772 180.0
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.