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]+ 332.13130 165.4
[M+Na]+ 354.11324 171.5
[M-H]- 330.11674 160.8
[M+NH4]+ 349.15784 178.7
[M+K]+ 370.08718 169.0
[M+H-H2O]+ 314.12128 160.5
[M+HCOO]- 376.12222 175.6
[M+CH3COO]- 390.13787 204.9
[M+Na-2H]- 352.09869 168.6
[M]+ 331.12347 159.3
[M]- 331.12457 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.