CID 3054890

Sgd 16477

Structural Information

Molecular Formula
C18H16Cl2N2O2
SMILES
C1=CC=C(C=C1)OCOC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H16Cl2N2O2/c19-14-6-7-16(17(20)10-14)18(11-22-9-8-21-12-22)24-13-23-15-4-2-1-3-5-15/h1-10,12,18H,11,13H2
InChIKey
LDMDTTQUKLPJFJ-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-(phenoxymethoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.05887 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.066146 180.7
[M+Na]+ 385.048088 189.1
[M-H]- 361.051594 186.7
[M+NH4]+ 380.092693 193.0
[M+K]+ 401.022028 182.4
[M+H-H2O]+ 345.056130 170.7
[M+HCOO]- 407.057071 192.5
[M+CH3COO]- 421.072721 190.8
[M+Na-2H]- 383.033536 182.3
[M]+ 362.05832142 186.5
[M]- 362.05941858 186.5
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.