CID 10049917

(s,z)-5-amino-2-(dibenzylamino)-1,6-diphenylhex-4-en-3-one

Structural Information

Molecular Formula
C32H32N2O
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)/C=C(/CC2=CC=CC=C2)\N)N(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C32H32N2O/c33-30(21-26-13-5-1-6-14-26)23-32(35)31(22-27-15-7-2-8-16-27)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,23,31H,21-22,24-25,33H2/b30-23-/t31-/m0/s1
InChIKey
IVYLNCUETJNNJU-AYRMWSDDSA-N
Compound name
(Z,2S)-5-amino-2-(dibenzylamino)-1,6-diphenylhex-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

460.25146 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.25874 220.5
[M+Na]+ 483.24068 234.3
[M+NH4]+ 478.28528 227.8
[M+K]+ 499.21462 223.6
[M-H]- 459.24418 230.5
[M+Na-2H]- 481.22613 232.7
[M]+ 460.25091 225.4
[M]- 460.25201 225.4
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