CID 12854716

67914-61-8

Structural Information

Molecular Formula
C24H26Cl2N4O3
SMILES
C1CN(CCN1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C24H26Cl2N4O3/c25-18-1-6-22(23(26)13-18)24(16-29-10-7-28-17-29)32-15-21(33-24)14-31-20-4-2-19(3-5-20)30-11-8-27-9-12-30/h1-7,10,13,17,21,27H,8-9,11-12,14-16H2/t21-,24-/m0/s1
InChIKey
LOUXSEJZCPKWAX-URXFXBBRSA-N
Compound name
1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

32
Patents

488.13818 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.14546 211.4
[M+Na]+ 511.12740 226.2
[M+NH4]+ 506.17200 218.9
[M+K]+ 527.10134 219.9
[M-H]- 487.13090 220.0
[M+Na-2H]- 509.11285 219.8
[M]+ 488.13763 216.6
[M]- 488.13873 216.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe