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]+ 267.11618 160.9
[M+Na]+ 289.09812 168.9
[M-H]- 265.10162 167.9
[M+NH4]+ 284.14272 179.1
[M+K]+ 305.07206 165.4
[M+H-H2O]+ 249.10616 153.9
[M+HCOO]- 311.10710 179.2
[M+CH3COO]- 325.12275 197.0
[M+Na-2H]- 287.08357 162.4
[M]+ 266.10835 162.6
[M]- 266.10945 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.