CID 478423

Carbamic acid, (1-methylethyl)[1-[4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl]-4-piperidinyl]-, methyl ester

Structural Information

Molecular Formula
C27H39N3O4S
SMILES
CC(C)N(C1CCN(CC1)CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C27H39N3O4S/c1-22(2)30(27(31)34-4)25-16-19-29(20-17-25)18-15-24(23-11-7-5-8-12-23)21-28(3)35(32,33)26-13-9-6-10-14-26/h5-14,22,24-25H,15-21H2,1-4H3
InChIKey
AXKALADQLJZSBB-UHFFFAOYSA-N
Compound name
methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.2661 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.27338 220.1
[M+Na]+ 524.25532 218.2
[M-H]- 500.25882 228.1
[M+NH4]+ 519.29992 225.0
[M+K]+ 540.22926 216.5
[M+H-H2O]+ 484.26336 208.9
[M+HCOO]- 546.26430 230.5
[M+CH3COO]- 560.27995 248.7
[M+Na-2H]- 522.24077 217.2
[M]+ 501.26555 222.1
[M]- 501.26665 222.1
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.