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]+ 295.147476 166.5
[M+Na]+ 317.129418 170.8
[M-H]- 293.132924 173.5
[M+NH4]+ 312.174023 177.6
[M+K]+ 333.103358 170.5
[M+H-H2O]+ 277.137460 153.6
[M+HCOO]- 339.138401 184.2
[M+CH3COO]- 353.154051 209.3
[M+Na-2H]- 315.114866 169.7
[M]+ 294.13965142 177.4
[M]- 294.14074858 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.