CID 75039122

(2-amino-5,10,10-trihydroxy-6-imino-3a,4,8,9-tetrahydro-1h-pyrrolo[1,2-c]purin-4-yl)methyl n-hydroxycarbamate

Structural Information

Molecular Formula
C10H17N7O6
SMILES
C1CN2C(=N)N(C(C3C2(C1(O)O)NC(=N3)N)COC(=O)NO)O
InChI
InChI=1S/C10H17N7O6/c11-6-13-5-4(3-23-8(18)15-21)17(22)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,12,19-22H,1-3H2,(H,15,18)(H3,11,13,14)
InChIKey
YBDAUZJLBCGWOB-UHFFFAOYSA-N
Compound name
(2-amino-5,10,10-trihydroxy-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methyl N-hydroxycarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.12402 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.131296 165.4
[M+Na]+ 354.113238 171.5
[M-H]- 330.116744 160.8
[M+NH4]+ 349.157843 178.7
[M+K]+ 370.087178 169.0
[M+H-H2O]+ 314.121280 160.5
[M+HCOO]- 376.122221 175.6
[M+CH3COO]- 390.137871 204.9
[M+Na-2H]- 352.098686 168.6
[M]+ 331.12347142 159.3
[M]- 331.12456858 159.3
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.