CID 6852147

(1r)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid

Structural Information

Molecular Formula
C17H22NO6PS
SMILES
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC)P(=O)(O)O
InChI
InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1
InChIKey
BZVYQWLRCHLAGK-QGZVFWFLSA-N
Compound name
[(1R)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

399.09055 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.09783 187.5
[M+Na]+ 422.07977 191.3
[M-H]- 398.08327 190.0
[M+NH4]+ 417.12437 197.0
[M+K]+ 438.05371 188.7
[M+H-H2O]+ 382.08781 177.5
[M+HCOO]- 444.08875 205.5
[M+CH3COO]- 458.10440 217.1
[M+Na-2H]- 420.06522 187.3
[M]+ 399.09000 190.7
[M]- 399.09110 190.7
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