CID 64575

M-toluenesulfonamide, n-(2-adamantyl)-, hydrochloride

Structural Information

Molecular Formula
C17H23NO2S
SMILES
CC1=CC(=CC=C1)S(=O)(=O)NC2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C17H23NO2S/c1-11-3-2-4-16(5-11)21(19,20)18-17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17-18H,6-10H2,1H3
InChIKey
GMDPNPDJBODQEL-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-3-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.14496 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.15224 162.1
[M+Na]+ 328.13418 172.0
[M+NH4]+ 323.17878 173.4
[M+K]+ 344.10812 162.6
[M-H]- 304.13768 162.3
[M+Na-2H]- 326.11963 161.2
[M]+ 305.14441 164.1
[M]- 305.14551 164.1
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.