CID 333247

17337-71-2

Structural Information

Molecular Formula
C22H27N3O4
SMILES
CCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C22H27N3O4/c1-2-9-18(25-22(28)29-15-17-12-7-4-8-13-17)21(27)24-19(20(23)26)14-16-10-5-3-6-11-16/h3-8,10-13,18-19H,2,9,14-15H2,1H3,(H2,23,26)(H,24,27)(H,25,28)
InChIKey
GIKKFYSYHXJPJI-UHFFFAOYSA-N
Compound name
benzyl N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.20016 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.20744 197.7
[M+Na]+ 420.18938 204.1
[M+NH4]+ 415.23398 201.3
[M+K]+ 436.16332 200.0
[M-H]- 396.19288 200.1
[M+Na-2H]- 418.17483 201.9
[M]+ 397.19961 198.6
[M]- 397.20071 198.6
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.