CID 380715

Nsc666422

Structural Information

Molecular Formula
C15H22N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN=C2C(CC2(C)C)(C)C
InChI
InChI=1S/C15H22N2O2S/c1-11-6-8-12(9-7-11)20(18,19)17-16-13-14(2,3)10-15(13,4)5/h6-9,17H,10H2,1-5H3
InChIKey
LBSDUEQUIWZBCF-UHFFFAOYSA-N
Compound name
4-methyl-N-[(2,2,4,4-tetramethylcyclobutylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1402 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14748 165.7
[M+Na]+ 317.12942 171.6
[M-H]- 293.13292 173.3
[M+NH4]+ 312.17402 179.0
[M+K]+ 333.10336 171.6
[M+H-H2O]+ 277.13746 154.5
[M+HCOO]- 339.13840 183.3
[M+CH3COO]- 353.15405 210.2
[M+Na-2H]- 315.11487 169.9
[M]+ 294.13965 177.5
[M]- 294.14075 177.5
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.