CID 15646822

Ns00097721

Structural Information

Molecular Formula
C10H17N7O8S
SMILES
C1CN2C(=N)N(C(C3C2(C1(O)O)NC(=N3)N)COC(=O)NS(=O)(=O)O)O
InChI
InChI=1S/C10H17N7O8S/c11-6-13-5-4(3-25-8(18)15-26(22,23)24)17(21)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,12,19-21H,1-3H2,(H,15,18)(H3,11,13,14)(H,22,23,24)
InChIKey
ALRRPAKWGUBPBK-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)methoxycarbonylsulfamic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

395.08594 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.09322 172.4
[M+Na]+ 418.07516 171.5
[M+NH4]+ 413.11976 174.2
[M+K]+ 434.04910 174.4
[M-H]- 394.07866 165.3
[M+Na-2H]- 416.06061 170.7
[M]+ 395.08539 169.5
[M]- 395.08649 169.5
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.