CID 135419186

8-bromo-cgmp

Structural Information

Molecular Formula
C10H11BrN5O7P
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)NC(=N4)N)N=C3Br)O)OP(=O)(O1)O
InChI
InChI=1S/C10H11BrN5O7P/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18)/t2-,4-,5-,8-/m1/s1
InChIKey
YUFCOOWNNHGGOD-UMMCILCDSA-N
Compound name
9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-bromo-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1534
References

924
Patents

422.95795 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.96523 194.2
[M+Na]+ 445.94717 194.1
[M+NH4]+ 440.99177 194.7
[M+K]+ 461.92111 200.7
[M-H]- 421.95067 194.1
[M+Na-2H]- 443.93262 189.2
[M]+ 422.95740 192.6
[M]- 422.95850 192.6
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