CID 489671

Chembl3142658

Structural Information

Molecular Formula
C10H14BrN5O5
SMILES
CC1(C(N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)N=[N+]=[N-])Br
InChI
InChI=1S/C10H14BrN5O5/c1-10(11)7(14-15-12)16(9(20)13-8(10)19)6-2-4(18)5(3-17)21-6/h4-7,17-18H,2-3H2,1H3,(H,13,19,20)/t4-,5+,6+,7?,10?/m0/s1
InChIKey
QRPDFPMWHYGCCS-KOGJUGEJSA-N
Compound name
6-azido-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.01782 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.02510 168.4
[M+Na]+ 386.00704 177.0
[M-H]- 362.01054 174.2
[M+NH4]+ 381.05164 182.5
[M+K]+ 401.98098 161.6
[M+H-H2O]+ 346.01508 170.6
[M+HCOO]- 408.01602 185.0
[M+CH3COO]- 422.03167 204.3
[M+Na-2H]- 383.99249 174.5
[M]+ 363.01727 181.2
[M]- 363.01837 181.2
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

No patent data available for this compound.