CID 474673

2'-deoxy-4'-c-ethylcytidine

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CC[C@]1([C@H](C[C@@H](O1)N2C=CC(=NC2=O)N)O)CO
InChI
InChI=1S/C11H17N3O4/c1-2-11(6-15)7(16)5-9(18-11)14-4-3-8(12)13-10(14)17/h3-4,7,9,15-16H,2,5-6H2,1H3,(H2,12,13,17)/t7-,9+,11+/m0/s1
InChIKey
AKPDHAWHXJDZHO-JVUFJMBOSA-N
Compound name
4-amino-1-[(2R,4S,5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

255.1219 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 155.1
[M+Na]+ 278.11112 163.8
[M-H]- 254.11462 157.6
[M+NH4]+ 273.15572 170.3
[M+K]+ 294.08506 161.5
[M+H-H2O]+ 238.11916 148.3
[M+HCOO]- 300.12010 173.2
[M+CH3COO]- 314.13575 190.7
[M+Na-2H]- 276.09657 158.1
[M]+ 255.12135 154.4
[M]- 255.12245 154.4
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