CID 3007638

(1s,2r)-1,2-bis(4-chlorophenyl)-3-imidazol-1-yl-propane-1,2-diol

Structural Information

Molecular Formula
C18H16Cl2N2O2
SMILES
C1=CC(=CC=C1[C@@H]([C@](CN2C=CN=C2)(C3=CC=C(C=C3)Cl)O)O)Cl
InChI
InChI=1S/C18H16Cl2N2O2/c19-15-5-1-13(2-6-15)17(23)18(24,11-22-10-9-21-12-22)14-3-7-16(20)8-4-14/h1-10,12,17,23-24H,11H2/t17-,18-/m0/s1
InChIKey
SWBGCNUQZWWMRM-ROUUACIJSA-N
Compound name
(1S,2R)-1,2-bis(4-chlorophenyl)-3-imidazol-1-ylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.05887 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06615 180.8
[M+Na]+ 385.04809 188.7
[M-H]- 361.05159 184.8
[M+NH4]+ 380.09269 192.0
[M+K]+ 401.02203 181.0
[M+H-H2O]+ 345.05613 172.4
[M+HCOO]- 407.05707 188.2
[M+CH3COO]- 421.07272 189.9
[M+Na-2H]- 383.03354 182.6
[M]+ 362.05832 182.7
[M]- 362.05942 182.7
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.