CID 387518

Nsc681329

Structural Information

Molecular Formula
C15H22N2O2S
SMILES
CCC1(CC(=NNS(=O)(=O)C2=CC=C(C=C2)C)C1)CC
InChI
InChI=1S/C15H22N2O2S/c1-4-15(5-2)10-13(11-15)16-17-20(18,19)14-8-6-12(3)7-9-14/h6-9,17H,4-5,10-11H2,1-3H3
InChIKey
IXWLSXKPNFSNNM-UHFFFAOYSA-N
Compound name
N-[(3,3-diethylcyclobutylidene)amino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1402 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14748 166.5
[M+Na]+ 317.12942 170.8
[M-H]- 293.13292 173.5
[M+NH4]+ 312.17402 177.6
[M+K]+ 333.10336 170.5
[M+H-H2O]+ 277.13746 153.6
[M+HCOO]- 339.13840 184.2
[M+CH3COO]- 353.15405 209.3
[M+Na-2H]- 315.11487 169.7
[M]+ 294.13965 177.4
[M]- 294.14075 177.4
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.