CID 9571460

Nsc666425

Structural Information

Molecular Formula
C16H20N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\CC3C4CCC3C2C4
InChI
InChI=1S/C16H20N2O2S/c1-10-2-5-12(6-3-10)21(19,20)18-17-16-9-14-11-4-7-13(14)15(16)8-11/h2-3,5-6,11,13-15,18H,4,7-9H2,1H3/b17-16+
InChIKey
WOLMIBMBHRRSSH-WUKNDPDISA-N
Compound name
4-methyl-N-[(E)-4-tricyclo[4.3.0.03,7]nonanylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.12454 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13182 171.3
[M+Na]+ 327.11376 178.6
[M-H]- 303.11726 180.4
[M+NH4]+ 322.15836 194.8
[M+K]+ 343.08770 175.2
[M+H-H2O]+ 287.12180 167.3
[M+HCOO]- 349.12274 189.8
[M+CH3COO]- 363.13839 208.3
[M+Na-2H]- 325.09921 172.0
[M]+ 304.12399 173.7
[M]- 304.12509 173.7
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.