CID 25271580

N-(biphenyl-4-ylsulfonyl)-d-leucine

Structural Information

Molecular Formula
C18H21NO4S
SMILES
CC(C)C[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H21NO4S/c1-13(2)12-17(18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKey
FBSVJQQVDISETN-QGZVFWFLSA-N
Compound name
(2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

347.11914 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12642 178.8
[M+Na]+ 370.10836 188.5
[M+NH4]+ 365.15296 184.4
[M+K]+ 386.08230 182.5
[M-H]- 346.11186 180.6
[M+Na-2H]- 368.09381 184.8
[M]+ 347.11859 181.0
[M]- 347.11969 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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