CID 91022

23904-90-7

Structural Information

Molecular Formula
C27H30Cl2N2O
SMILES
C1CN(CCN1CCCCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4Cl
InChI
InChI=1S/C27H30Cl2N2O/c28-24-14-12-23(13-15-24)27(22-8-2-1-3-9-22)32-21-7-6-16-30-17-19-31(20-18-30)26-11-5-4-10-25(26)29/h1-5,8-15,27H,6-7,16-21H2
InChIKey
ZZOPZJZFOITWCR-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.17352 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.18080 213.6
[M+Na]+ 491.16274 217.1
[M-H]- 467.16624 219.9
[M+NH4]+ 486.20734 218.9
[M+K]+ 507.13668 207.9
[M+H-H2O]+ 451.17078 200.2
[M+HCOO]- 513.17172 218.1
[M+CH3COO]- 527.18737 218.9
[M+Na-2H]- 489.14819 211.6
[M]+ 468.17297 213.8
[M]- 468.17407 213.8
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.