CID 218258

Verbindungen 333 [german]

Structural Information

Molecular Formula
C17H16N2O
SMILES
CN1C=C(N=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C17H16N2O/c1-19-11-17(18-13-19)15-7-9-16(10-8-15)20-12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3
InChIKey
QREBDEBQNVOXGD-UHFFFAOYSA-N
Compound name
1-methyl-4-(4-phenylmethoxyphenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.12625 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 160.6
[M+Na]+ 287.11547 169.0
[M-H]- 263.11897 168.0
[M+NH4]+ 282.16007 175.9
[M+K]+ 303.08941 164.0
[M+H-H2O]+ 247.12351 150.8
[M+HCOO]- 309.12445 183.7
[M+CH3COO]- 323.14010 172.9
[M+Na-2H]- 285.10092 165.3
[M]+ 264.12570 162.0
[M]- 264.12680 162.0
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

patents stripe