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 187.6
[M+Na]+ 398.07972 195.0
[M-H]- 374.08322 192.3
[M+NH4]+ 393.12432 198.7
[M+K]+ 414.05366 186.6
[M+H-H2O]+ 358.08776 178.1
[M+HCOO]- 420.08870 197.8
[M+CH3COO]- 434.10435 196.4
[M+Na-2H]- 396.06517 190.7
[M]+ 375.08995 190.1
[M]- 375.09105 190.1
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.