CID 456988

[(4-methoxyphenyl)naphthylmethyl]imidazole nitrate

Structural Information

Molecular Formula
C21H18N2O
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC3=CC=CC=C32)N4C=CN=C4
InChI
InChI=1S/C21H18N2O/c1-24-18-11-9-17(10-12-18)21(23-14-13-22-15-23)20-8-4-6-16-5-2-3-7-19(16)20/h2-15,21H,1H3
InChIKey
HLBAECLQZYBWMQ-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)-naphthalen-1-ylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1419 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14918 174.7
[M+Na]+ 337.13112 183.2
[M-H]- 313.13462 183.0
[M+NH4]+ 332.17572 188.6
[M+K]+ 353.10506 176.9
[M+H-H2O]+ 297.13916 164.1
[M+HCOO]- 359.14010 196.3
[M+CH3COO]- 373.15575 186.0
[M+Na-2H]- 335.11657 179.7
[M]+ 314.14135 176.8
[M]- 314.14245 176.8
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.