CID 188321

6-chloroinosine monophosphate

Structural Information

Molecular Formula
C10H12ClN4O7P
SMILES
C1=NC2=C(C(=N1)Cl)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI
InChI=1S/C10H12ClN4O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
ALOBOMYIOYNCBS-KQYNXXCUSA-N
Compound name
[(2R,3S,4R,5R)-5-(6-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

22
Patents

366.0132 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.02048 173.4
[M+Na]+ 389.00242 182.5
[M-H]- 365.00592 172.2
[M+NH4]+ 384.04702 182.3
[M+K]+ 404.97636 180.7
[M+H-H2O]+ 349.01046 164.6
[M+HCOO]- 411.01140 186.4
[M+CH3COO]- 425.02705 202.3
[M+Na-2H]- 386.98787 173.1
[M]+ 366.01265 178.0
[M]- 366.01375 178.0
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