CID 3007469

Chembl27351

Structural Information

Molecular Formula
C19H17ClN2O2
SMILES
C=C(C1=CC=CC=C1OCCOC2=CC=C(C=C2)Cl)N3C=CN=C3
InChI
InChI=1S/C19H17ClN2O2/c1-15(22-11-10-21-14-22)18-4-2-3-5-19(18)24-13-12-23-17-8-6-16(20)7-9-17/h2-11,14H,1,12-13H2
InChIKey
VMNNBMLSSMICIO-UHFFFAOYSA-N
Compound name
1-[1-[2-[2-(4-chlorophenoxy)ethoxy]phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.09787 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10515 179.1
[M+Na]+ 363.08709 187.0
[M-H]- 339.09059 185.8
[M+NH4]+ 358.13169 191.8
[M+K]+ 379.06103 180.5
[M+H-H2O]+ 323.09513 168.9
[M+HCOO]- 385.09607 196.0
[M+CH3COO]- 399.11172 189.6
[M+Na-2H]- 361.07254 180.9
[M]+ 340.09732 183.3
[M]- 340.09842 183.3
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.