CID 470997

1-[3,5-bis(4-chlorophenyl)phenyl]-3-(butylamino)propan-1-ol

Structural Information

Molecular Formula
C25H27Cl2NO
SMILES
CCCCNCCC(C1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C25H27Cl2NO/c1-2-3-13-28-14-12-25(29)22-16-20(18-4-8-23(26)9-5-18)15-21(17-22)19-6-10-24(27)11-7-19/h4-11,15-17,25,28-29H,2-3,12-14H2,1H3
InChIKey
DEECKTTWEYOFLH-UHFFFAOYSA-N
Compound name
1-[3,5-bis(4-chlorophenyl)phenyl]-3-(butylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.14697 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.15425 203.7
[M+Na]+ 450.13619 210.1
[M-H]- 426.13969 210.4
[M+NH4]+ 445.18079 214.0
[M+K]+ 466.11013 200.6
[M+H-H2O]+ 410.14423 195.2
[M+HCOO]- 472.14517 214.7
[M+CH3COO]- 486.16082 227.9
[M+Na-2H]- 448.12164 202.9
[M]+ 427.14642 207.8
[M]- 427.14752 207.8
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.