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
2
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]+ 321.065196 169.5
[M+Na]+ 343.047138 180.9
[M-H]- 319.050644 173.7
[M+NH4]+ 338.091743 182.4
[M+K]+ 359.021078 176.0
[M+H-H2O]+ 303.055180 161.8
[M+HCOO]- 365.056121 186.4
[M+CH3COO]- 379.071771 201.7
[M+Na-2H]- 341.032586 176.0
[M]+ 320.05737142 175.4
[M]- 320.05846858 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.