CID 9578491

N-(1-methyl-2-pyrrolidinylidene)-p-toluenesulfonamide

Structural Information

Molecular Formula
C12H16N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/CCCN2C
InChI
InChI=1S/C12H16N2O2S/c1-10-5-7-11(8-6-10)17(15,16)13-12-4-3-9-14(12)2/h5-8H,3-4,9H2,1-2H3/b13-12-
InChIKey
YPSHFRBMXMFKSH-SEYXRHQNSA-N
Compound name
(NZ)-4-methyl-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.09325 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10053 157.4
[M+Na]+ 275.08247 167.9
[M+NH4]+ 270.12707 165.1
[M+K]+ 291.05641 161.9
[M-H]- 251.08597 160.0
[M+Na-2H]- 273.06792 163.2
[M]+ 252.09270 159.9
[M]- 252.09380 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.