CID 347533

P-toluenesulfonamide, n,n-diisobutyl-

Structural Information

Molecular Formula
C15H25NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(C)C
InChI
InChI=1S/C15H25NO2S/c1-12(2)10-16(11-13(3)4)19(17,18)15-8-6-14(5)7-9-15/h6-9,12-13H,10-11H2,1-5H3
InChIKey
DSMRCZDBUXOCCM-UHFFFAOYSA-N
Compound name
4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.1606 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16788 166.2
[M+Na]+ 306.14982 171.4
[M-H]- 282.15332 170.8
[M+NH4]+ 301.19442 183.0
[M+K]+ 322.12376 169.6
[M+H-H2O]+ 266.15786 159.4
[M+HCOO]- 328.15880 182.1
[M+CH3COO]- 342.17445 207.0
[M+Na-2H]- 304.13527 165.8
[M]+ 283.16005 171.1
[M]- 283.16115 171.1
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

patents stripe