CID 9589291

126826-57-1

Structural Information

Molecular Formula
C15H22N2O2S
SMILES
CCCCN\1CCC/C1=N\S(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C15H22N2O2S/c1-3-4-11-17-12-5-6-15(17)16-20(18,19)14-9-7-13(2)8-10-14/h7-10H,3-6,11-12H2,1-2H3/b16-15+
InChIKey
CSMSPNKITJXZAK-FOCLMDBBSA-N
Compound name
(NE)-N-(1-butylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1402 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.147476 169.7
[M+Na]+ 317.129418 176.7
[M-H]- 293.132924 176.3
[M+NH4]+ 312.174023 186.7
[M+K]+ 333.103358 172.8
[M+H-H2O]+ 277.137460 162.3
[M+HCOO]- 339.138401 187.3
[M+CH3COO]- 353.154051 203.0
[M+Na-2H]- 315.114866 170.2
[M]+ 294.13965142 172.1
[M]- 294.14074858 172.1
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.