CID 71448983

N-sulfonyloxy-phip

Structural Information

Molecular Formula
C13H12N4O4S
SMILES
CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1NOS(=O)(=O)O
InChI
InChI=1S/C13H12N4O4S/c1-17-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(17)16-21-22(18,19)20/h2-8H,1H3,(H,14,15,16)(H,18,19,20)
InChIKey
LPVOGSWZCYNQGE-UHFFFAOYSA-N
Compound name
[(1-methyl-6-phenylimidazo[4,5-b]pyridin-2-yl)amino] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.05792 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06520 169.5
[M+Na]+ 343.04714 180.9
[M-H]- 319.05064 173.7
[M+NH4]+ 338.09174 182.4
[M+K]+ 359.02108 176.0
[M+H-H2O]+ 303.05518 161.8
[M+HCOO]- 365.05612 186.4
[M+CH3COO]- 379.07177 201.7
[M+Na-2H]- 341.03259 176.0
[M]+ 320.05737 175.4
[M]- 320.05847 175.4
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

No patent data available for this compound.