CID 3065822

N-(p-(aminomethyl)-alpha-(pyrrolidinocarbonyl)phenethyl)-2-naphthalenesulfonamide

Structural Information

Molecular Formula
C24H27N3O3S
SMILES
C1CCN(C1)C(=O)C(CC2=CC=C(C=C2)CN)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C24H27N3O3S/c25-17-19-9-7-18(8-10-19)15-23(24(28)27-13-3-4-14-27)26-31(29,30)22-12-11-20-5-1-2-6-21(20)16-22/h1-2,5-12,16,23,26H,3-4,13-15,17,25H2
InChIKey
JRPYOHXZWUOKAD-UHFFFAOYSA-N
Compound name
N-[3-[4-(aminomethyl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]naphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.1773 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.18458 200.6
[M+Na]+ 460.16652 210.1
[M+NH4]+ 455.21112 206.8
[M+K]+ 476.14046 204.0
[M-H]- 436.17002 205.5
[M+Na-2H]- 458.15197 207.5
[M]+ 437.17675 203.5
[M]- 437.17785 203.5
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.