CID 5468428

Nsc670170

Structural Information

Molecular Formula
C20H22N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\C3CCC(C3)C2C4=CC=CC=C4
InChI
InChI=1S/C20H22N2O2S/c1-14-7-11-18(12-8-14)25(23,24)22-21-20-17-10-9-16(13-17)19(20)15-5-3-2-4-6-15/h2-8,11-12,16-17,19,22H,9-10,13H2,1H3/b21-20+
InChIKey
KMLJCDIFQNRJOC-QZQOTICOSA-N
Compound name
4-methyl-N-[(E)-(3-phenyl-2-bicyclo[2.2.1]heptanylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1402 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14748 183.4
[M+Na]+ 377.12942 190.3
[M-H]- 353.13292 194.1
[M+NH4]+ 372.17402 202.1
[M+K]+ 393.10336 185.2
[M+H-H2O]+ 337.13746 177.2
[M+HCOO]- 399.13840 202.2
[M+CH3COO]- 413.15405 194.6
[M+Na-2H]- 375.11487 185.1
[M]+ 354.13965 185.0
[M]- 354.14075 185.0
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.