CID 6365089

Vgemmrkhtjnspo-kcgfpetgsa-n

Structural Information

Molecular Formula
C11H13N4O4Se
SMILES
CC1=NC2=C(C=NN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=N1)[Se]
InChI
InChI=1S/C11H13N4O4Se/c1-4-13-9-5(10(20)14-4)2-12-15(9)11-8(18)7(17)6(3-16)19-11/h2,6-8,11,16-18H,3H2,1H3/t6-,7-,8-,11-/m1/s1
InChIKey
JFWQXLPZCNQCGO-KCGFPETGSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.0102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.01748 175.1
[M+Na]+ 367.99942 185.8
[M-H]- 344.00292 175.8
[M+NH4]+ 363.04402 187.2
[M+K]+ 383.97336 182.2
[M+H-H2O]+ 328.00746 167.3
[M+HCOO]- 390.00840 189.3
[M+CH3COO]- 404.02405 185.3
[M+Na-2H]- 365.98487 174.0
[M]+ 345.00965 177.8
[M]- 345.01075 177.8
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.