CID 5910589

Nsc683839

Structural Information

Molecular Formula
C25H40N2O2S
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N/N=C/2\CC3CCC2(C3(C)C)C)C(C)C
InChI
InChI=1S/C25H40N2O2S/c1-15(2)18-12-20(16(3)4)23(21(13-18)17(5)6)30(28,29)27-26-22-14-19-10-11-25(22,9)24(19,7)8/h12-13,15-17,19,27H,10-11,14H2,1-9H3/b26-22+
InChIKey
YKFIGPHOAFYJHB-XTCLZLMSSA-N
Compound name
2,4,6-tri(propan-2-yl)-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.28104 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.28832 204.4
[M+Na]+ 455.27026 209.6
[M-H]- 431.27376 211.0
[M+NH4]+ 450.31486 224.4
[M+K]+ 471.24420 206.2
[M+H-H2O]+ 415.27830 201.2
[M+HCOO]- 477.27924 216.2
[M+CH3COO]- 491.29489 239.3
[M+Na-2H]- 453.25571 201.5
[M]+ 432.28049 209.8
[M]- 432.28159 209.8
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.