CID 6289950

Nsc673923

Structural Information

Molecular Formula
C17H25BrN2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C\2/CCC(CC2Br)C(C)(C)C
InChI
InChI=1S/C17H25BrN2O2S/c1-12-5-8-14(9-6-12)23(21,22)20-19-16-10-7-13(11-15(16)18)17(2,3)4/h5-6,8-9,13,15,20H,7,10-11H2,1-4H3/b19-16-
InChIKey
DIKKPVZHJIIROU-MNDPQUGUSA-N
Compound name
N-[(Z)-(2-bromo-4-tert-butylcyclohexylidene)amino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.082 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.08928 178.8
[M+Na]+ 423.07122 187.0
[M-H]- 399.07472 188.1
[M+NH4]+ 418.11582 194.5
[M+K]+ 439.04516 174.2
[M+H-H2O]+ 383.07926 177.0
[M+HCOO]- 445.08020 191.8
[M+CH3COO]- 459.09585 220.7
[M+Na-2H]- 421.05667 182.6
[M]+ 400.08145 196.5
[M]- 400.08255 196.5
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.