CID 135465599

8-bromoguanosine

Structural Information

Molecular Formula
C10H12BrN5O5
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)N=C2Br)O)O)O
InChI
InChI=1S/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m1/s1
InChIKey
ASUCSHXLTWZYBA-UMMCILCDSA-N
Compound name
2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

55
References

5883
Patents

361.00217 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.00945 168.9
[M+Na]+ 383.99139 182.1
[M-H]- 359.99489 171.6
[M+NH4]+ 379.03599 180.9
[M+K]+ 399.96533 170.5
[M+H-H2O]+ 343.99943 167.6
[M+HCOO]- 406.00037 181.6
[M+CH3COO]- 420.01602 180.4
[M+Na-2H]- 381.97684 170.1
[M]+ 361.00162 186.8
[M]- 361.00272 186.8
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.