CID 3007454

Chembl26578

Structural Information

Molecular Formula
C19H18N2O
SMILES
CC1=CC=C(C=C1)COC2=CC=CC=C2C(=C)N3C=CN=C3
InChI
InChI=1S/C19H18N2O/c1-15-7-9-17(10-8-15)13-22-19-6-4-3-5-18(19)16(2)21-12-11-20-14-21/h3-12,14H,2,13H2,1H3
InChIKey
SZXZLMOYORHLMM-UHFFFAOYSA-N
Compound name
1-[1-[2-[(4-methylphenyl)methoxy]phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.1419 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14918 169.1
[M+Na]+ 313.13112 176.5
[M-H]- 289.13462 176.2
[M+NH4]+ 308.17572 183.1
[M+K]+ 329.10506 171.0
[M+H-H2O]+ 273.13916 159.0
[M+HCOO]- 335.14010 190.6
[M+CH3COO]- 349.15575 180.4
[M+Na-2H]- 311.11657 171.5
[M]+ 290.14135 169.8
[M]- 290.14245 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.