CID 9802422

(sp)-8-bromo-camps

Structural Information

Molecular Formula
C10H11BrN5O5PS
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3Br)N)O)OP(=S)(O1)O
InChI
InChI=1S/C10H11BrN5O5PS/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(20-9)1-19-22(18,23)21-6/h2-3,5-6,9,17H,1H2,(H,18,23)(H2,12,13,14)/t3-,5-,6-,9-,22?/m1/s1
InChIKey
RBORURQQJIQWBS-QVRNUERCSA-N
Compound name
(4aR,6R,7R,7aS)-6-(6-amino-8-bromopurin-9-yl)-2-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

61
References

2529
Patents

422.9402 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.94748 182.2
[M+Na]+ 445.92942 183.0
[M+NH4]+ 440.97402 184.7
[M+K]+ 461.90336 187.1
[M-H]- 421.93292 183.7
[M+Na-2H]- 443.91487 179.4
[M]+ 422.93965 181.8
[M]- 422.94075 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe