CID 3007711

107680-28-4

Structural Information

Molecular Formula
C19H18Cl2N2O2
SMILES
C[C@](C1=CC=C(C=C1)Cl)([C@](CN2C=CN=C2)(C3=CC=C(C=C3)Cl)O)O
InChI
InChI=1S/C19H18Cl2N2O2/c1-18(24,14-2-6-16(20)7-3-14)19(25,12-23-11-10-22-13-23)15-4-8-17(21)9-5-15/h2-11,13,24-25H,12H2,1H3/t18-,19-/m0/s1
InChIKey
ZDWHKJSIKBFIEN-OALUTQOASA-N
Compound name
(2R,3S)-2,3-bis(4-chlorophenyl)-1-imidazol-1-ylbutane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.07452 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08180 187.0
[M+Na]+ 399.06374 195.1
[M-H]- 375.06724 191.2
[M+NH4]+ 394.10834 197.8
[M+K]+ 415.03768 187.2
[M+H-H2O]+ 359.07178 178.6
[M+HCOO]- 421.07272 193.3
[M+CH3COO]- 435.08837 208.2
[M+Na-2H]- 397.04919 190.3
[M]+ 376.07397 189.2
[M]- 376.07507 189.2
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.