CID 3055643

N-tosyl-d,l-isoleucine diazomethyl ketone

Structural Information

Molecular Formula
C14H19N3O3S
SMILES
CC[C@@H](C)[C@H](C(=O)C=[N+]=[N-])NS(=O)(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C14H19N3O3S/c1-4-11(3)14(13(18)9-16-15)17-21(19,20)12-7-5-10(2)6-8-12/h5-9,11,14,17H,4H2,1-3H3/t11-,14-/m1/s1
InChIKey
GTLNDAVKPAJMCJ-BXUZGUMPSA-N
Compound name
N-[(3R,4R)-1-diazo-4-methyl-2-oxohexan-3-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.11472 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12200 167.9
[M+Na]+ 332.10394 176.6
[M+NH4]+ 327.14854 173.4
[M+K]+ 348.07788 172.7
[M-H]- 308.10744 170.0
[M+Na-2H]- 330.08939 171.9
[M]+ 309.11417 169.7
[M]- 309.11527 169.7
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

No patent data available for this compound.