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 166.6
[M+Na]+ 328.13418 168.2
[M-H]- 304.13768 164.3
[M+NH4]+ 323.17878 186.7
[M+K]+ 344.10812 164.9
[M+H-H2O]+ 288.14222 160.8
[M+HCOO]- 350.14316 169.3
[M+CH3COO]- 364.15881 174.0
[M+Na-2H]- 326.11963 176.9
[M]+ 305.14441 169.2
[M]- 305.14551 169.2
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.