CID 267368

Tolpyrramide

Structural Information

Molecular Formula
C12H16N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCC2
InChI
InChI=1S/C12H16N2O3S/c1-10-4-6-11(7-5-10)18(16,17)13-12(15)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,13,15)
InChIKey
RFVJKWJDUQOEML-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

292
Patents

268.08817 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09545 160.3
[M+Na]+ 291.07739 166.8
[M-H]- 267.08089 165.8
[M+NH4]+ 286.12199 177.2
[M+K]+ 307.05133 163.8
[M+H-H2O]+ 251.08543 153.5
[M+HCOO]- 313.08637 176.6
[M+CH3COO]- 327.10202 192.6
[M+Na-2H]- 289.06284 161.7
[M]+ 268.08762 160.2
[M]- 268.08872 160.2
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.