CID 3007509

Chembl25789

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CC(=C(C1=CC=CC=C1OCCCOC2=CC=CC=C2)N3C=CN=C3)C
InChI
InChI=1S/C22H24N2O2/c1-18(2)22(24-14-13-23-17-24)20-11-6-7-12-21(20)26-16-8-15-25-19-9-4-3-5-10-19/h3-7,9-14,17H,8,15-16H2,1-2H3
InChIKey
NKSJJXFADQWWOC-UHFFFAOYSA-N
Compound name
1-[2-methyl-1-[2-(3-phenoxypropoxy)phenyl]prop-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.18378 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 186.1
[M+Na]+ 371.17300 190.7
[M-H]- 347.17650 192.4
[M+NH4]+ 366.21760 197.2
[M+K]+ 387.14694 185.7
[M+H-H2O]+ 331.18104 175.1
[M+HCOO]- 393.18198 205.7
[M+CH3COO]- 407.19763 212.2
[M+Na-2H]- 369.15845 186.4
[M]+ 348.18323 188.1
[M]- 348.18433 188.1
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.