CID 5905086

Nsc673906

Structural Information

Molecular Formula
C16H20N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\C3CCC4C3CC2C4
InChI
InChI=1S/C16H20N2O2S/c1-10-2-5-13(6-3-10)21(19,20)18-17-16-12-8-11-4-7-14(16)15(11)9-12/h2-3,5-6,11-12,14-15,18H,4,7-9H2,1H3/b17-16-
InChIKey
KGDFSOFNEIUXNM-MSUUIHNZSA-N
Compound name
4-methyl-N-[(Z)-2-tricyclo[4.2.1.03,7]nonanylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.12454 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13182 171.0
[M+Na]+ 327.11376 178.4
[M-H]- 303.11726 179.1
[M+NH4]+ 322.15836 195.1
[M+K]+ 343.08770 175.1
[M+H-H2O]+ 287.12180 167.6
[M+HCOO]- 349.12274 188.8
[M+CH3COO]- 363.13839 183.1
[M+Na-2H]- 325.09921 172.6
[M]+ 304.12399 174.3
[M]- 304.12509 174.3
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.