CID 483347

Benzyl n-ethyl-n-[1-[4-[(4r)-4-(1h-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-phenyl-butyl]-4-piperidyl]carbamate

Structural Information

Molecular Formula
C37H43N5O4
SMILES
CCN(C1CCN(CC1)CCC(CN2C(=O)[C@H](NC2=O)CC3=CNC4=CC=CC=C43)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6
InChI
InChI=1S/C37H43N5O4/c1-2-41(37(45)46-26-27-11-5-3-6-12-27)31-18-21-40(22-19-31)20-17-29(28-13-7-4-8-14-28)25-42-35(43)34(39-36(42)44)23-30-24-38-33-16-10-9-15-32(30)33/h3-16,24,29,31,34,38H,2,17-23,25-26H2,1H3,(H,39,44)/t29?,34-/m1/s1
InChIKey
BQRVLHNYCPOZSY-VWERDZHISA-N
Compound name
benzyl N-ethyl-N-[1-[4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylbutyl]piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

621.3315 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.33878 245.4
[M+Na]+ 644.32072 243.5
[M-H]- 620.32422 254.0
[M+NH4]+ 639.36532 243.0
[M+K]+ 660.29466 236.4
[M+H-H2O]+ 604.32876 231.4
[M+HCOO]- 666.32970 253.2
[M+CH3COO]- 680.34535 246.9
[M+Na-2H]- 642.30617 236.4
[M]+ 621.33095 241.7
[M]- 621.33205 241.7
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.