CID 212648

(+-)-endo-n-2-bornyl-p-toluenesulfonamide

Structural Information

Molecular Formula
C17H25NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2CC3CCC2(C3(C)C)C
InChI
InChI=1S/C17H25NO2S/c1-12-5-7-14(8-6-12)21(19,20)18-15-11-13-9-10-17(15,4)16(13,2)3/h5-8,13,15,18H,9-11H2,1-4H3
InChIKey
UMUXWHIFRRFFIF-UHFFFAOYSA-N
Compound name
4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1606 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16788 171.7
[M+Na]+ 330.14982 180.5
[M-H]- 306.15332 178.1
[M+NH4]+ 325.19442 196.5
[M+K]+ 346.12376 176.3
[M+H-H2O]+ 290.15786 168.5
[M+HCOO]- 352.15880 187.1
[M+CH3COO]- 366.17445 205.0
[M+Na-2H]- 328.13527 174.7
[M]+ 307.16005 175.2
[M]- 307.16115 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.