CID 3055641

N-tosyl-l-leucine diazomethyl ketone

Structural Information

Molecular Formula
C14H19N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)C=[N+]=[N-]
InChI
InChI=1S/C14H19N3O3S/c1-10(2)8-13(14(18)9-16-15)17-21(19,20)12-6-4-11(3)5-7-12/h4-7,9-10,13,17H,8H2,1-3H3/t13-/m0/s1
InChIKey
QQRPFXQMLBQBBS-ZDUSSCGKSA-N
Compound name
N-[(3S)-1-diazo-5-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 169.2
[M+Na]+ 332.10394 173.1
[M-H]- 308.10744 173.4
[M+NH4]+ 327.14854 183.2
[M+K]+ 348.07788 165.1
[M+H-H2O]+ 292.11198 166.2
[M+HCOO]- 354.11292 188.3
[M+CH3COO]- 368.12857 204.1
[M+Na-2H]- 330.08939 172.6
[M]+ 309.11417 168.3
[M]- 309.11527 168.3
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.