CID 14097325

84963-37-1

Structural Information

Molecular Formula
C34H36N2O3
SMILES
C[C@H](CCC1=CC=CC=C1)N(CC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)C(=O)N)[C@H](C)C4=CC=CC=C4
InChI
InChI=1S/C34H36N2O3/c1-25(18-19-27-12-6-3-7-13-27)36(26(2)29-16-10-5-11-17-29)23-32(37)30-20-21-33(31(22-30)34(35)38)39-24-28-14-8-4-9-15-28/h3-17,20-22,25-26H,18-19,23-24H2,1-2H3,(H2,35,38)/t25-,26-/m1/s1
InChIKey
PIJCMXDNWDLQTC-CLJLJLNGSA-N
Compound name
5-[2-[[(2R)-4-phenylbutan-2-yl]-[(1R)-1-phenylethyl]amino]acetyl]-2-phenylmethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

520.2726 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.27988 232.7
[M+Na]+ 543.26182 231.4
[M-H]- 519.26532 243.5
[M+NH4]+ 538.30642 235.8
[M+K]+ 559.23576 227.0
[M+H-H2O]+ 503.26986 219.4
[M+HCOO]- 565.27080 250.8
[M+CH3COO]- 579.28645 255.5
[M+Na-2H]- 541.24727 228.4
[M]+ 520.27205 232.6
[M]- 520.27315 232.6
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

patents stripe