CID 23519662

4'-c-ethylcytidine

Structural Information

Molecular Formula
C11H17N3O5
SMILES
CC[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)CO
InChI
InChI=1S/C11H17N3O5/c1-2-11(5-15)8(17)7(16)9(19-11)14-4-3-6(12)13-10(14)18/h3-4,7-9,15-17H,2,5H2,1H3,(H2,12,13,18)/t7-,8+,9-,11-/m1/s1
InChIKey
BYWLLKMOKXJSKL-PKIKSRDPSA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

271.11682 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12410 158.4
[M+Na]+ 294.10604 167.2
[M-H]- 270.10954 159.9
[M+NH4]+ 289.15064 172.4
[M+K]+ 310.07998 164.9
[M+H-H2O]+ 254.11408 152.0
[M+HCOO]- 316.11502 175.0
[M+CH3COO]- 330.13067 192.3
[M+Na-2H]- 292.09149 160.4
[M]+ 271.11627 157.7
[M]- 271.11737 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe