CID 137175343

Structural Information

Molecular Formula
C10H14N5O5
SMILES
[CH]1NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N
InChI
InChI=1S/C10H14N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,12,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6+,9-/m1/s1
InChIKey
JEPAHPFDUXQBAO-FJFJXFQQSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0995 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10678 163.7
[M+Na]+ 307.08872 171.9
[M-H]- 283.09222 161.4
[M+NH4]+ 302.13332 173.7
[M+K]+ 323.06266 167.7
[M+H-H2O]+ 267.09676 156.8
[M+HCOO]- 329.09770 174.0
[M+CH3COO]- 343.11335 172.2
[M+Na-2H]- 305.07417 162.1
[M]+ 284.09895 158.6
[M]- 284.10005 158.6
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.