CID 384306

Nsc673922

Structural Information

Molecular Formula
C19H30N2O2S
SMILES
CC1CC(CC(C1=NNS(=O)(=O)C2=CC=C(C=C2)C)C)C(C)(C)C
InChI
InChI=1S/C19H30N2O2S/c1-13-7-9-17(10-8-13)24(22,23)21-20-18-14(2)11-16(12-15(18)3)19(4,5)6/h7-10,14-16,21H,11-12H2,1-6H3
InChIKey
FGSJBNDKHPRTBI-UHFFFAOYSA-N
Compound name
N-[(4-tert-butyl-2,6-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2028 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.210076 183.6
[M+Na]+ 373.192018 188.7
[M-H]- 349.195524 190.9
[M+NH4]+ 368.236623 197.7
[M+K]+ 389.165958 184.6
[M+H-H2O]+ 333.200060 176.1
[M+HCOO]- 395.201001 198.0
[M+CH3COO]- 409.216651 220.2
[M+Na-2H]- 371.177466 184.3
[M]+ 350.20225142 183.9
[M]- 350.20334858 183.9
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.