CID 21618555

Dtxsid60616383

Structural Information

Molecular Formula

C₁₈H₂₉N₃O₂S

SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C18H29N3O2S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)24(22,23)21-20-19/h12-13,15-16H,2-11,14H2,1H3

InChIKey

ZCRVPHKAQIHANY-UHFFFAOYSA-N

Compound name

N-diazo-2-dodecylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 172
Patents: 351.19806 Da
Monoisotopic Mass: 8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.20534	186.2
[M+Na]+	374.18728	189.7
[M-H]-	350.19078	190.9
[M+NH4]+	369.23188	199.7
[M+K]+	390.16122	180.1
[M+H-H2O]+	334.19532	181.7
[M+HCOO]-	396.19626	208.1
[M+CH3COO]-	410.21191	216.1
[M+Na-2H]-	372.17273	190.7
[M]+	351.19751	189.8
[M]-	351.19861	189.8

Literature stripe

literature stripe

Patent stripe

patents stripe