CID 6337677

40093-99-0

Structural Information

Molecular Formula
C10H11N4O4Se
SMILES
C1=NC2=C(C(=N1)[Se])N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H11N4O4Se/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2/t4-,6-,7-,10-/m1/s1
InChIKey
LMKZMWVWAYJKQL-KQYNXXCUSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

330.99454 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.00182 169.7
[M+Na]+ 353.98376 179.9
[M-H]- 329.98726 170.1
[M+NH4]+ 349.02836 182.0
[M+K]+ 369.95770 176.6
[M+H-H2O]+ 313.99180 161.6
[M+HCOO]- 375.99274 184.2
[M+CH3COO]- 390.00839 180.0
[M+Na-2H]- 351.96921 169.8
[M]+ 330.99399 171.6
[M]- 330.99509 171.6
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