CID 3068301

3-benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate

Structural Information

Molecular Formula
C19H19Cl2N3O
SMILES
C1=CC=C(C=C1)CNCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C19H19Cl2N3O/c20-16-6-7-17(18(21)10-16)19(25,13-24-9-8-22-14-24)12-23-11-15-4-2-1-3-5-15/h1-10,14,23,25H,11-13H2
InChIKey
NQIHXCMHYYBEIV-UHFFFAOYSA-N
Compound name
1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0905 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.09778 189.4
[M+Na]+ 398.07972 204.1
[M+NH4]+ 393.12432 197.0
[M+K]+ 414.05366 196.6
[M-H]- 374.08322 194.1
[M+Na-2H]- 396.06517 198.8
[M]+ 375.08995 193.5
[M]- 375.09105 193.5
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.