CID 6375422

Nsc666449

Structural Information

Molecular Formula
C16H20N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C\2/C3CC4CC(C3)C2C4
InChI
InChI=1S/C16H20N2O2S/c1-10-2-4-14(5-3-10)21(19,20)18-17-16-13-7-11-6-12(9-13)15(16)8-11/h2-5,11-13,15,18H,6-9H2,1H3/b17-16-
InChIKey
DJQRNONZIDNZMM-MSUUIHNZSA-N
Compound name
4-methyl-N-[(Z)-2-tricyclo[3.3.1.03,7]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 165.5
[M+Na]+ 327.11376 170.0
[M-H]- 303.11726 167.5
[M+NH4]+ 322.15836 189.9
[M+K]+ 343.08770 167.2
[M+H-H2O]+ 287.12180 162.3
[M+HCOO]- 349.12274 176.4
[M+CH3COO]- 363.13839 175.7
[M+Na-2H]- 325.09921 173.3
[M]+ 304.12399 171.6
[M]- 304.12509 171.6
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.