CID 71304809

Nut

Structural Information

Molecular Formula
C30H32Cl2N4O4
SMILES
CC(C)OC1=C(C=CC(=C1)OC)C2N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C30H32Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-29,34H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+,29?/m0/s1
InChIKey
GDHZUMUIXNXPCH-POZJPKTBSA-N
Compound name
4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.18005 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.18733 236.3
[M+Na]+ 605.16927 240.4
[M-H]- 581.17277 242.8
[M+NH4]+ 600.21387 235.2
[M+K]+ 621.14321 232.1
[M+H-H2O]+ 565.17731 222.9
[M+HCOO]- 627.17825 233.5
[M+CH3COO]- 641.19390 239.2
[M+Na-2H]- 603.15472 226.1
[M]+ 582.17950 235.0
[M]- 582.18060 235.0
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.