CID 466034

1-(2,4-dichlorophenyl)-2-imidazol-1-yl-n-[(4-phenylphenyl)methyl]ethanamine

Structural Information

Molecular Formula
C24H21Cl2N3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H21Cl2N3/c25-21-10-11-22(23(26)14-21)24(16-29-13-12-27-17-29)28-15-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-14,17,24,28H,15-16H2
InChIKey
JYVJNYNRLDGQTD-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-[(4-phenylphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.11127 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11855 200.8
[M+Na]+ 444.10049 208.0
[M-H]- 420.10399 209.2
[M+NH4]+ 439.14509 210.1
[M+K]+ 460.07443 198.3
[M+H-H2O]+ 404.10853 189.0
[M+HCOO]- 466.10947 212.3
[M+CH3COO]- 480.12512 209.0
[M+Na-2H]- 442.08594 201.1
[M]+ 421.11072 203.4
[M]- 421.11182 203.4
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

No patent data available for this compound.