CID 64978

3'-azido-2',3'-dideoxy-5-bromouridine

Structural Information

Molecular Formula
C9H10BrN5O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)N=[N+]=[N-]
InChI
InChI=1S/C9H10BrN5O4/c10-4-2-15(9(18)12-8(4)17)7-1-5(13-14-11)6(3-16)19-7/h2,5-7,16H,1,3H2,(H,12,17,18)/t5-,6+,7+/m0/s1
InChIKey
VKYMRXNXDPKKRV-RRKCRQDMSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-bromopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

42
Patents

330.9916 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.99888 161.5
[M+Na]+ 353.98082 172.4
[M-H]- 329.98432 169.4
[M+NH4]+ 349.02542 175.8
[M+K]+ 369.95476 156.6
[M+H-H2O]+ 313.98886 162.4
[M+HCOO]- 375.98980 183.8
[M+CH3COO]- 390.00545 199.8
[M+Na-2H]- 351.96627 169.7
[M]+ 330.99105 177.5
[M]- 330.99215 177.5
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