CID 208582

Picomonosulfate sodium

Structural Information

Molecular Formula
C18H15NO5S
SMILES
C1=CC=NC(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)OS(=O)(=O)O
InChI
InChI=1S/C18H15NO5S/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)24-25(21,22)23/h1-12,18,20H,(H,21,22,23)
InChIKey
GZBRDXXUGWPICA-UHFFFAOYSA-N
Compound name
[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

357.0671 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.07438 178.6
[M+Na]+ 380.05632 192.4
[M+NH4]+ 375.10092 184.8
[M+K]+ 396.03026 185.1
[M-H]- 356.05982 182.2
[M+Na-2H]- 378.04177 188.1
[M]+ 357.06655 182.1
[M]- 357.06765 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe