CID 53916945

Bifonazole impurity d

Structural Information

Molecular Formula
C41H33N2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C=C[N+](=C4)C(C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7
InChI
InChI=1S/C41H33N2/c1-5-13-32(14-6-1)34-21-25-38(26-22-34)40(36-17-9-3-10-18-36)42-29-30-43(31-42)41(37-19-11-4-12-20-37)39-27-23-35(24-28-39)33-15-7-2-8-16-33/h1-31,40-41H/q+1
InChIKey
IHRYPFYNLNKULG-UHFFFAOYSA-N
Compound name
1,3-bis[phenyl-(4-phenylphenyl)methyl]imidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

553.2644 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.27168 247.9
[M+Na]+ 576.25362 248.5
[M-H]- 552.25712 263.3
[M+NH4]+ 571.29822 247.0
[M+K]+ 592.22756 232.6
[M+H-H2O]+ 536.26166 233.1
[M+HCOO]- 598.26260 261.9
[M+CH3COO]- 612.27825 250.8
[M+Na-2H]- 574.23907 245.9
[M]+ 553.26385 241.2
[M]- 553.26495 241.2
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.