CID 9589291

N-(1-butyl-2-pyrrolidinylidene)-4-methylbenzenesulfonamide

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]+ 295.14748 169.7
[M+Na]+ 317.12942 176.7
[M-H]- 293.13292 176.3
[M+NH4]+ 312.17402 186.7
[M+K]+ 333.10336 172.8
[M+H-H2O]+ 277.13746 162.3
[M+HCOO]- 339.13840 187.3
[M+CH3COO]- 353.15405 203.0
[M+Na-2H]- 315.11487 170.2
[M]+ 294.13965 172.1
[M]- 294.14075 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.