CID 462542

[naphthalenyl-(4-(2,4-difluorobenzyloxy)phenyl)methyl]imidazole, mononitrate

Structural Information

Molecular Formula
C27H20F2N2O
SMILES
C1=CC=C2C(=C1)C=CC=C2C(C3=CC=C(C=C3)OCC4=C(C=C(C=C4)F)F)N5C=CN=C5
InChI
InChI=1S/C27H20F2N2O/c28-22-11-8-21(26(29)16-22)17-32-23-12-9-20(10-13-23)27(31-15-14-30-18-31)25-7-3-5-19-4-1-2-6-24(19)25/h1-16,18,27H,17H2
InChIKey
JCZDOVCPXUGSSN-UHFFFAOYSA-N
Compound name
1-[[4-[(2,4-difluorophenyl)methoxy]phenyl]-naphthalen-1-ylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.15436 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.16164 204.0
[M+Na]+ 449.14358 212.7
[M-H]- 425.14708 212.5
[M+NH4]+ 444.18818 212.8
[M+K]+ 465.11752 203.6
[M+H-H2O]+ 409.15162 189.7
[M+HCOO]- 471.15256 222.0
[M+CH3COO]- 485.16821 212.6
[M+Na-2H]- 447.12903 204.9
[M]+ 426.15381 204.0
[M]- 426.15491 204.0
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.