CID 367709

Nsc637641

Structural Information

Molecular Formula
C11H16BrN5O5
SMILES
CC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-])OC)Br
InChI
InChI=1S/C11H16BrN5O5/c1-11(12)8(19)14-10(20)17(9(11)21-2)7-3-5(15-16-13)6(4-18)22-7/h5-7,9,18H,3-4H2,1-2H3,(H,14,19,20)
InChIKey
DKNXBVBXWMIPTC-UHFFFAOYSA-N
Compound name
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-bromo-6-methoxy-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

14
Patents

377.03348 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.04076 172.3
[M+Na]+ 400.02270 181.0
[M-H]- 376.02620 179.3
[M+NH4]+ 395.06730 186.6
[M+K]+ 415.99664 166.2
[M+H-H2O]+ 360.03074 174.3
[M+HCOO]- 422.03168 190.1
[M+CH3COO]- 436.04733 209.4
[M+Na-2H]- 398.00815 178.4
[M]+ 377.03293 187.1
[M]- 377.03403 187.1
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