CID 468484

Chembl95072

Structural Information

Molecular Formula
C22H32N2O4
SMILES
CCCCCCCCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC(=O)C2
InChI
InChI=1S/C22H32N2O4/c1-2-3-4-5-6-10-15-28-22(27)23-20(16-18-11-8-7-9-12-18)21(26)24-14-13-19(25)17-24/h7-9,11-12,20H,2-6,10,13-17H2,1H3,(H,23,27)/t20-/m0/s1
InChIKey
KCBKSHBFCLDIAQ-FQEVSTJZSA-N
Compound name
octyl N-[(2S)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.2362 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.24348 198.6
[M+Na]+ 411.22542 199.2
[M-H]- 387.22892 201.9
[M+NH4]+ 406.27002 209.3
[M+K]+ 427.19936 196.1
[M+H-H2O]+ 371.23346 189.0
[M+HCOO]- 433.23440 216.3
[M+CH3COO]- 447.25005 221.5
[M+Na-2H]- 409.21087 194.4
[M]+ 388.23565 200.0
[M]- 388.23675 200.0
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.