CID 9797212

5-bromocytidine

Structural Information

Molecular Formula
C9H12BrN3O5
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)Br
InChI
InChI=1S/C9H12BrN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1
InChIKey
HRDXGYQCVPZEJE-UAKXSSHOSA-N
Compound name
4-amino-5-bromo-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2230
Patents

320.99603 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.00331 169.0
[M+Na]+ 343.98525 169.3
[M+NH4]+ 339.02985 169.9
[M+K]+ 359.95919 174.3
[M-H]- 319.98875 168.1
[M+Na-2H]- 341.97070 166.9
[M]+ 320.99548 167.1
[M]- 320.99658 167.1
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