CID 462549

[naphthalen-2-yl-(4-(2,6-dichlorobenzyloxy)phenyl)methyl]imidazole, mononitrate

Structural Information

Molecular Formula
C27H20Cl2N2O
SMILES
C1=CC=C2C=C(C=CC2=C1)C(C3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)N5C=CN=C5
InChI
InChI=1S/C27H20Cl2N2O/c28-25-6-3-7-26(29)24(25)17-32-23-12-10-20(11-13-23)27(31-15-14-30-18-31)22-9-8-19-4-1-2-5-21(19)16-22/h1-16,18,27H,17H2
InChIKey
NOGIBFQASRCPSW-UHFFFAOYSA-N
Compound name
1-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]-naphthalen-2-ylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

458.09528 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.10256 210.2
[M+Na]+ 481.08450 219.8
[M-H]- 457.08800 219.9
[M+NH4]+ 476.12910 219.2
[M+K]+ 497.05844 209.9
[M+H-H2O]+ 441.09254 197.7
[M+HCOO]- 503.09348 220.5
[M+CH3COO]- 517.10913 218.6
[M+Na-2H]- 479.06995 210.9
[M]+ 458.09473 216.1
[M]- 458.09583 216.1
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.