CID 25111708

1068139-38-7

Structural Information

Molecular Formula
C23H38N2O3S
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)[C@@H]2CCCN2
InChI
InChI=1S/C23H38N2O3S/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)29(27,28)25-23(26)22-14-12-19-24-22/h15-18,22,24H,2-14,19H2,1H3,(H,25,26)/t22-/m0/s1
InChIKey
FAGYODAJNLXMRF-QFIPXVFZSA-N
Compound name
(2S)-N-(4-dodecylphenyl)sulfonylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

422.2603 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.26758 206.5
[M+Na]+ 445.24952 207.4
[M-H]- 421.25302 208.2
[M+NH4]+ 440.29412 216.1
[M+K]+ 461.22346 201.2
[M+H-H2O]+ 405.25756 197.8
[M+HCOO]- 467.25850 217.5
[M+CH3COO]- 481.27415 223.6
[M+Na-2H]- 443.23497 202.6
[M]+ 422.25975 208.3
[M]- 422.26085 208.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe