CID 3055645

6-(n-tosyl)aminocaproic acid diazomethyl ketone

Structural Information

Molecular Formula
C14H19N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)C=[N+]=[N-]
InChI
InChI=1S/C14H19N3O3S/c1-12-6-8-14(9-7-12)21(19,20)17-10-4-2-3-5-13(18)11-16-15/h6-9,11,17H,2-5,10H2,1H3
InChIKey
DFUCISWWAMEOST-UHFFFAOYSA-N
Compound name
N-(7-diazo-6-oxoheptyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.11472 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12200 168.6
[M+Na]+ 332.10394 178.0
[M+NH4]+ 327.14854 174.4
[M+K]+ 348.07788 172.4
[M-H]- 308.10744 171.2
[M+Na-2H]- 330.08939 173.1
[M]+ 309.11417 170.7
[M]- 309.11527 170.7
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.