CID 478421

Schembl8031772

Structural Information

Molecular Formula
C26H37N3O4S
SMILES
CCN(C1CCN(CC1)CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C26H37N3O4S/c1-4-29(26(30)33-3)24-16-19-28(20-17-24)18-15-23(22-11-7-5-8-12-22)21-27(2)34(31,32)25-13-9-6-10-14-25/h5-14,23-24H,4,15-21H2,1-3H3
InChIKey
AWHDRJBXLAKQNX-UHFFFAOYSA-N
Compound name
methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

487.2505 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.25778 216.9
[M+Na]+ 510.23972 215.8
[M-H]- 486.24322 225.1
[M+NH4]+ 505.28432 222.5
[M+K]+ 526.21366 213.6
[M+H-H2O]+ 470.24776 205.5
[M+HCOO]- 532.24870 228.6
[M+CH3COO]- 546.26435 245.0
[M+Na-2H]- 508.22517 215.2
[M]+ 487.24995 219.0
[M]- 487.25105 219.0
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.