CID 9571502

Nsc673921

Structural Information

Molecular Formula
C18H28N2O2S
SMILES
CC\1CC(CC/C1=N\NS(=O)(=O)C2=CC=C(C=C2)C)C(C)(C)C
InChI
InChI=1S/C18H28N2O2S/c1-13-6-9-16(10-7-13)23(21,22)20-19-17-11-8-15(12-14(17)2)18(3,4)5/h6-7,9-10,14-15,20H,8,11-12H2,1-5H3/b19-17+
InChIKey
CTEFDTSRFYPZRD-HTXNQAPBSA-N
Compound name
N-[(E)-(4-tert-butyl-2-methylcyclohexylidene)amino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18716 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19444 179.7
[M+Na]+ 359.17638 184.4
[M-H]- 335.17988 186.8
[M+NH4]+ 354.22098 194.1
[M+K]+ 375.15032 180.4
[M+H-H2O]+ 319.18442 172.2
[M+HCOO]- 381.18536 194.5
[M+CH3COO]- 395.20101 215.9
[M+Na-2H]- 357.16183 181.5
[M]+ 336.18661 179.3
[M]- 336.18771 179.3
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.