CID 9589290

126826-49-1

Structural Information

Molecular Formula
C13H18N2O2S
SMILES
CCN\1CCC/C1=N/S(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C13H18N2O2S/c1-3-15-10-4-5-13(15)14-18(16,17)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3/b14-13-
InChIKey
VOVUJSDXAUJRRJ-YPKPFQOOSA-N
Compound name
(NZ)-N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1089 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.116176 160.9
[M+Na]+ 289.098118 168.9
[M-H]- 265.101624 167.9
[M+NH4]+ 284.142723 179.1
[M+K]+ 305.072058 165.4
[M+H-H2O]+ 249.106160 153.9
[M+HCOO]- 311.107101 179.2
[M+CH3COO]- 325.122751 197.0
[M+Na-2H]- 287.083566 162.4
[M]+ 266.10835142 162.6
[M]- 266.10944858 162.6
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.