CID 5912634

Nsc666427

Structural Information

Molecular Formula
C16H18N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\CC3C4CC2C3C=C4
InChI
InChI=1S/C16H18N2O2S/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/h2-7,11,13-15,18H,8-9H2,1H3/b17-16+
InChIKey
BCVBVZBSFFFOIU-WUKNDPDISA-N
Compound name
4-methyl-N-[(E)-4-tricyclo[4.3.0.03,7]non-8-enylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1089 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11618 170.5
[M+Na]+ 325.09812 178.9
[M-H]- 301.10162 180.2
[M+NH4]+ 320.14272 194.3
[M+K]+ 341.07206 175.3
[M+H-H2O]+ 285.10616 166.6
[M+HCOO]- 347.10710 190.5
[M+CH3COO]- 361.12275 183.4
[M+Na-2H]- 323.08357 172.1
[M]+ 302.10835 174.4
[M]- 302.10945 174.4
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.