CID 476787

2',3'-dideoxy-n4,5'-o-dipropionylcytidine

Structural Information

Molecular Formula
C15H21N3O5
SMILES
CCC(=O)NC1=NC(=O)N(C=C1)[C@H]2CC[C@H](O2)COC(=O)CC
InChI
InChI=1S/C15H21N3O5/c1-3-12(19)16-11-7-8-18(15(21)17-11)13-6-5-10(23-13)9-22-14(20)4-2/h7-8,10,13H,3-6,9H2,1-2H3,(H,16,17,19,21)/t10-,13+/m0/s1
InChIKey
VEMKEJOBQHSFON-GXFFZTMASA-N
Compound name
[(2S,5R)-5-[2-oxo-4-(propanoylamino)pyrimidin-1-yl]oxolan-2-yl]methyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

323.14813 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15541 174.1
[M+Na]+ 346.13735 179.9
[M-H]- 322.14085 178.8
[M+NH4]+ 341.18195 185.6
[M+K]+ 362.11129 179.1
[M+H-H2O]+ 306.14539 165.3
[M+HCOO]- 368.14633 193.1
[M+CH3COO]- 382.16198 208.3
[M+Na-2H]- 344.12280 174.2
[M]+ 323.14758 177.2
[M]- 323.14868 177.2
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

patents stripe