CID 5479505

Nsc646441

Structural Information

Molecular Formula
C10H13BrN8O4
SMILES
CC1(C(N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-])N=[N+]=[N-])Br
InChI
InChI=1S/C10H13BrN8O4/c1-10(11)7(16-18-13)19(9(22)14-8(10)21)6-2-4(15-17-12)5(3-20)23-6/h4-7,20H,2-3H2,1H3,(H,14,21,22)/t4-,5+,6+,7?,10?/m0/s1
InChIKey
IMNYUQITPPIELN-KOGJUGEJSA-N
Compound name
6-azido-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-bromo-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.02432 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.03160 175.2
[M+Na]+ 411.01354 181.9
[M-H]- 387.01704 183.9
[M+NH4]+ 406.05814 188.0
[M+K]+ 426.98748 162.5
[M+H-H2O]+ 371.02158 178.5
[M+HCOO]- 433.02252 197.9
[M+CH3COO]- 447.03817 213.7
[M+Na-2H]- 408.99899 185.8
[M]+ 388.02377 185.5
[M]- 388.02487 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.