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 202.4
[M+Na]+ 460.16652 205.5
[M-H]- 436.17002 210.0
[M+NH4]+ 455.21112 211.9
[M+K]+ 476.14046 199.8
[M+H-H2O]+ 420.17456 193.5
[M+HCOO]- 482.17550 215.2
[M+CH3COO]- 496.19115 229.5
[M+Na-2H]- 458.15197 202.7
[M]+ 437.17675 201.0
[M]- 437.17785 201.0
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.