CID 9574866

(1z)-3-[[(4r,5r)-3-[[3-[(z)-hydroxyiminomethyl]phenyl]methyl]-2-oxo-4,5-diphenethyl-imidazolidin-1-yl]methyl]benzaldehyde oxime

Structural Information

Molecular Formula
C35H36N4O3
SMILES
C1=CC=C(C=C1)CC[C@H]2N(C(=O)N([C@@H]2CCC3=CC=CC=C3)CC4=CC(=CC=C4)/C=N\O)CC5=CC(=CC=C5)/C=N\O
InChI
InChI=1S/C35H36N4O3/c40-35-38(25-31-15-7-13-29(21-31)23-36-41)33(19-17-27-9-3-1-4-10-27)34(20-18-28-11-5-2-6-12-28)39(35)26-32-16-8-14-30(22-32)24-37-42/h1-16,21-24,33-34,41-42H,17-20,25-26H2/b36-23-,37-24-/t33-,34-/m1/s1
InChIKey
FFSIWHGSWVQZJQ-ZZLZWKLHSA-N
Compound name
(4R,5R)-1,3-bis[[3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-4,5-bis(2-phenylethyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.27875 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.28603 240.0
[M+Na]+ 583.26797 242.3
[M-H]- 559.27147 251.6
[M+NH4]+ 578.31257 241.1
[M+K]+ 599.24191 233.2
[M+H-H2O]+ 543.27601 224.9
[M+HCOO]- 605.27695 258.5
[M+CH3COO]- 619.29260 244.6
[M+Na-2H]- 581.25342 236.5
[M]+ 560.27820 239.4
[M]- 560.27930 239.4
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

No patent data available for this compound.