CID 16219157

20998-86-1

Structural Information

Molecular Formula
C24H26N2O3
SMILES
CC(C)C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C24H26N2O3/c1-17(2)14-22(26-24(28)29-16-18-8-4-3-5-9-18)23(27)25-21-13-12-19-10-6-7-11-20(19)15-21/h3-13,15,17,22H,14,16H2,1-2H3,(H,25,27)(H,26,28)/t22-/m0/s1
InChIKey
YHLNWQGRZLOYJV-QFIPXVFZSA-N
Compound name
benzyl N-[(2S)-4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.19434 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.20162 195.9
[M+Na]+ 413.18356 197.6
[M-H]- 389.18706 201.9
[M+NH4]+ 408.22816 206.5
[M+K]+ 429.15750 194.0
[M+H-H2O]+ 373.19160 186.1
[M+HCOO]- 435.19254 215.4
[M+CH3COO]- 449.20819 226.8
[M+Na-2H]- 411.16901 197.4
[M]+ 390.19379 196.1
[M]- 390.19489 196.1
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.